Nicotinic acid chloride hydrochloride

C₆H₅Cl₂NOCAS 20260-53-1178.01 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

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

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

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

3-Acetylpyridine350-03-850 % similar 3-Guanylpyridine hydrochloride7356-60-750 % similar Benzoyl chloride98-88-450 % similar Isophthaloyl chloride99-63-848 % similar 3-Propionylpyridine1570-48-546 % similar Sodium nicotinate54-86-446 % similar Chromium nicotinate64452-96-646 % similar Inositol nicotinate6556-11-246 % 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 2-Amino-4,6-dichlorophenol527-62-8 (5,6-Dichloropyridin-3-yl)methanol54127-30-9 4-Amino-2,6-dichlorophenol5930-28-9

Elsewhere

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