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Isoniazid
CAS: 54-85-3 | C6H7N3O
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
54-85-3
Molecular Formula:
C6H7N3O
Molecular Weight:
137.142 g/mol
Names and Synonyms:
Isoniazid
Common Name
Zinadon
Synonym
Vederon
Synonym
Isonindon
Synonym
Isonilex
Synonym
Isonidrin
Synonym
Isonicotinoylhydrazine
Synonym
Isonicotan
Synonym
Isonico
Synonym
Isonicid
Synonym
Isoniazide
Synonym
Isoniazid
Synonym
Isonex
Synonym
Isolyn
Synonym
Isocotin
Synonym
Isobicina
Synonym
Isidrina
Synonym
Hydrazid
Synonym
Hycozid
Synonym
Hidrasonil
Synonym
HIA
Synonym
Eutizon
Synonym
Ertuban
Synonym
Dinacrin
Synonym
Ditubin
Synonym
Cotinazin
Synonym
Armazide
Synonym
5015 R.P.
Synonym
FSR 3
Synonym
Isonicotinic acid hydrazide
Synonym
4-Pyridinecarboxylic acid, hydrazide
Synonym
Ipcazide
Synonym
Solonex
Synonym
Isokin
Synonym
Isocaldin
Synonym
Isonicotinic acid hydrazyde
Synonym
Lafepe
Synonym
Mayambutol
Synonym
Pyridine-4-carbohydrazide
Synonym
GINK
Synonym
Dianicotyl
Synonym
[(4-Pyridinylcarbonyl)oxy]hydrazine
Synonym
4-(Hydrazinocarbonyl)pyridine
Synonym
Isozin
Synonym
4-Pyridinecarboxylic hydrazide
Synonym
4-Pyridinecarbonylhydrazine
Synonym
Isonicotinohydrazide
Synonym
4-Pyridylcarbonylhydrazide
Synonym
Rimicid
Synonym
Nicotisan
Synonym
Eralon
Synonym
T.B. Razide
Synonym
Hidranizil
Synonym
Zidafimia
Synonym
Armazid
Synonym
Nidrazid
Synonym
NSC 9659
Synonym
Atcotibine
Synonym
Tubeco
Synonym
Tubilysin
Synonym
Nitadon
Synonym
Hyzyd
Synonym
Rimitsid
Synonym
Neoxin
Synonym
Cedin
Synonym
Isocid
Synonym
Isoniazid SA
Synonym
Rimiphone
Synonym
Isonicotinoyl hydrazide
Synonym
Isonicotinic hydrazide
Synonym
Zonazide
Synonym
Vazadrine
Synonym
Unicozyde
Synonym
Tyvid
Synonym
Tubomel
Synonym
Tubicon
Synonym
Tubazide
Synonym
Tubazid
Synonym
Tizide
Synonym
Tisiodrazida
Synonym
Tisin
Synonym
Tibizide
Synonym
Tibinide
Synonym
Tekazin
Synonym
Teebaconin
Synonym
Tebecid
Synonym
TB-Vis
Synonym
Sauterazid
Synonym
RU-EF-Tb
Synonym
Robisellin
Synonym
Rimifon
Synonym
Retozide
Synonym
Raumanon
Synonym
Pyrizidin
Synonym
Pyricidin
Synonym
Pycazide
Synonym
Preparation 6424
Synonym
Pelazid
Synonym
Nyscozid
Synonym
Nydrazid
Synonym
Niplen
Synonym
Nikozid
Synonym
Nidaton
Synonym
Nicozide
Synonym
Nicotibina
Synonym
Niconyl
Synonym
Nicizina
Synonym
Nicetal
Synonym
Niadrin
Synonym
Nevin
Synonym
Neumandin
Synonym
Neoteben
Synonym
Mybasan
Synonym
Laniazid
Synonym
Isozyd
Synonym
Isozide
Synonym
Isotebezid
Synonym
Isonizide
Synonym
Identifiers:
SMILES:
NNC(=O)c1ccncc1
InChI:
InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 137.142 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 137.058911844 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 68.00999999999999 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.3149000000000006 | RDKit |
| molecular_mass | 137.14 g/mol | Legacy Database |
| density | 1.42 g/cm³ | Legacy Database |
| cas-canonical-smile | O=C(NN)C=1C=CN=CC1 None | Legacy Database |
| cas-density | 1.420 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10) None | Legacy Database |
| cas-inchi-key | InChIKey=QRXWMOHMRWLFEY-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 171.4 °C None | Legacy Database |
| cas-name | Isoniazid None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 35.89060000000001 | RDKit |