Isonicotinoyl chloride hydrochloride

C6H5Cl2NOCAS 39178-35-3178.01 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
148–152 °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 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

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 2-Chloropyridine-4-carbonyl chloride65287-34-548 % 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

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 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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