4-Chloro-3-nitropyridine

C5H3ClN2O2CAS 13091-23-1158.54 g/mol

Open in Covalent MOL file
ON+O−NCl
Aryl halideNitro

Properties

Molecular formula
C5H3ClN2O2
Molar mass
158.54 g/mol
Exact mass
157.9883 Da
Melting point
45 °C
Boiling point
95 °C (at 5 Torr)
logP
1.64Crippen estimate
Polar surface area
56.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P337+P317, P403+P233, P405, P501

Identifiers

CAS number
13091-23-1
SMILES
O=[N+]([O-])c1cnccc1Cl
InChIKey
JOTRPRKONYTVBV-UHFFFAOYSA-N
InChI
InChI=1S/C5H3ClN2O2/c6-4-1-2-7-3-5(4)8(9)10/h1-3H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names
  • Pyridine, 4-chloro-3-nitro-
  • 3-Nitro-4-chloropyridine

Work with 4-Chloro-3-nitropyridine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Chloro-3-nitropyridine hydrochloride54079-68-4Salt

Similar compounds

4-Methyl-3-nitropyridine5832-44-061 % similar 2-Nitrochlorobenzene88-73-358 % similar 3-Chloro-5-nitropyridin-4-amine89284-28-657 % similar 3-Fluoro-4-nitropyridine13505-01-656 % similar 3-Methyl-4-nitropyridine1678-53-156 % similar 4-Methoxy-3-nitropyridine31872-62-556 % similar 5-Nitroisoquinoline607-32-956 % similar 2,4-Dichloro-5-nitropyridine4487-56-354 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloropyrimidine-4-carboxylic acid149849-92-3 2-Chloro-4-nitropyridine23056-36-2 6-Chloropyrazine-2-carboxylic acid23688-89-3 3-Chloro-2-pyrazine-carboxylic acid27398-39-6 2-Chloro-3-nitropyridine34515-82-7 5-Chloro-2-pyrazinecarboxylic acid36070-80-1 6-Chloro-4-pyrimidinecarboxylic acid37131-91-2 2-Chloropyrimidine-5-carboxylic acid374068-01-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook