chempirical

2-Chloronicotinoyl chloride

C6H3Cl2NOCAS 49609-84-9176.00 g/mol

Open in Covalent MOL file
OClNCl
Acyl halideAryl halide

Properties

Molecular formula
C6H3Cl2NO
Molar mass
176.00 g/mol
Exact mass
174.9592 Da
Melting point
56 °C
Boiling point
98–100 °C
logP
2.11Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
49609-84-9
SMILES
O=C(Cl)c1cccnc1Cl
InChIKey
RXTRRIFWCJEMEL-UHFFFAOYSA-N
InChI
InChI=1S/C6H3Cl2NO/c7-5-4(6(8)10)2-1-3-9-5/h1-3H

Weigh it out

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

Names and synonyms

6 names
  • 3-Pyridinecarbonyl chloride, 2-chloro-
  • 2-Chloro-3-pyridinecarbonyl chloride
  • 2-Chloronicotinic chloride
  • 2-Chloronicotinyl chloride
  • 2-Chloropyridine-3-carboxylic acid chloride
  • 2-Chloronictinoyl chloride

Work with 2-Chloronicotinoyl chloride

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Chloronicotinic acid2942-59-861 % similar Methyl 2-chloronicotinate40134-18-756 % similar Phthaloyl chloride88-95-954 % similar 2-Chloronicotinamide10366-35-551 % similar 2-Chlorobenzoyl chloride609-65-450 % similar 2,3-Dichlorobenzoyl chloride2905-60-447 % similar 1-Naphthoyl chloride879-18-547 % similar 2-Bromobenzoyl chloride7154-66-745 % similar

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

Same formula

4,6-Dichloropyridine-3-carbaldehyde1060811-62-2 2,6-Dichloropyridine-4-carboxaldehyde113293-70-2 2,4-Dichloropyridine-3-carbaldehyde134031-24-6 3,5-Dichloro-4-formyl pyridine136590-83-5 2,6-Dichloro-3-pyridinecarboxaldehyde55304-73-9 6-Chloronicotinoyl chloride58757-38-3

Elsewhere

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