Nicotinic acid chloride hydrochloride

C6H5Cl2NOCAS 20260-53-1178.01 g/mol

Open in Covalent MOL file
HClOClN
Acyl halide

Properties

Molecular formula
C6H5Cl2NO
Molar mass
178.01 g/mol
Exact mass
176.9748 Da
Melting point
164–165 °C
logP
1.88Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

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

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
20260-53-1
SMILES
Cl.O=C(Cl)c1cccnc1
InChIKey
MSYBLBLAMDYKKZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H4ClNO.ClH/c7-6(9)5-2-1-3-8-4-5;/h1-4H;1H

Weigh it out

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Names and synonyms

3 names
  • 3-Pyridinecarbonyl chloride, hydrochloride (1:1)
  • Nicotinoyl chloride, hydrochloride
  • 3-Pyridinecarbonyl chloride, hydrochloride

Work with Nicotinic acid chloride hydrochloride

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

Similar compounds

Nicotinic anhydride16837-38-050 % similar 3-Acetylpyridine350-03-850 % similar Phenyl-3-pyridinylmethanone5424-19-150 % similar Niacin59-67-650 % similar Nicotinamidine hydrochloride7356-60-750 % similar Benzoyl chloride98-88-450 % similar Isophthaloyl chloride99-63-848 % similar 1-(3-Pyridyl)propan-1-one1570-48-546 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,6-Dichloro-4-pyridinemethanol101990-69-6 Isonicotinoyl chloride hydrochloride39178-35-3 5-Amino-2,4-dichlorophenol39489-79-7 Picolinoyl chloride hydrochloride39901-94-5 4-Amino-2,5-dichlorophenol50392-39-7 2-Amino-4,6-dichlorophenol527-62-8 (5,6-Dichloropyridin-3-yl)methanol54127-30-9 (2,6-Dichloro-3-pyridinyl)methanol55304-90-0

Elsewhere

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