Isonicotinoyl chloride hydrochloride

C₆H₅Cl₂NOCAS 39178-35-3178.01 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₅Cl₂NO
Molar mass: 178.01 g/mol
Exact mass: 176.9748 Da
Melting point: 148–152 °C
logP: 1.88Crippen estimate
Polar surface area: 30.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

39178-35-3

SMILES

Cl.O=C(Cl)c1ccncc1

InChIKey

BNTRVUUJBGBGLZ-UHFFFAOYSA-N

InChI

InChI=1S/C6H4ClNO.ClH/c7-6(9)5-1-3-8-4-2-5;/h1-4H;1H

Weigh it out

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

Names and synonyms

9 names

4-Pyridinecarbonyl chloride, hydrochloride (1:1)
4-Pyridinecarbonyl chloride, hydrochloride
Isonicotinoyl chloride, hydrochloride
Isonicotinyl chloride hydrochloride
Isonicotinic acid chloride hydrochloride
4-Pyridinecarboxylic acid chloride hydrochloride
4-Nicotinoyl chloride hydrochloride
4-(Chloroformyl)pyridinium hydrochloride
(Chlorocarbonyl)-4-(pyridinyl) monohydrochloride

Work with Isonicotinoyl 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

Terephthaloyl chloride100-20-958 % similar 4,4′-Biphenyldicarbonyl chloride2351-37-352 % similar Benzoyl chloride98-88-452 % similar 4-Chlorobenzoyl chloride122-01-048 % similar 4-Iodobenzoyl chloride1711-02-047 % similar 4-Fluorobenzoyl chloride403-43-047 % similar 4-Bromobenzoyl chloride586-75-447 % similar 4,4′-Oxydibenzoyl chloride7158-32-947 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,6-Dichloro-4-pyridinemethanol101990-69-6 Nicotinic acid chloride hydrochloride20260-53-1 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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