chempirical

6-Chloronicotinoyl chloride

C6H3Cl2NOCAS 58757-38-3176.00 g/mol

Open in Covalent MOL file
OClClN
Acyl halideAryl halide

Properties

Molecular formula
C6H3Cl2NO
Molar mass
176.00 g/mol
Exact mass
174.9592 Da
Melting point
49–51 °C
Boiling point
85 °C
logP
2.11Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
58757-38-3
SMILES
O=C(Cl)c1ccc(Cl)nc1
InChIKey
FMEBIWNKYZUWFV-UHFFFAOYSA-N
InChI
InChI=1S/C6H3Cl2NO/c7-5-2-1-4(3-9-5)6(8)10/h1-3H

Weigh it out

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

Names and synonyms

6 names
  • 3-Pyridinecarbonyl chloride, 6-chloro-
  • 6-Chloro-3-pyridinecarbonyl chloride
  • 6-Chloronicotinic acid chloride
  • 2-Chloropyridine-5-carbonyl chloride
  • 6-Chloronicotinyl chloride
  • 6-Chloropyridin-3-carbonyl chloride

Work with 6-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

6-Chloronicotinic acid5326-23-859 % similar Terephthaloyl chloride100-20-954 % similar 4-Chlorobenzoyl chloride122-01-050 % similar Ethyl 6-chloronicotinate49608-01-750 % similar 6-Chloronicotinamide6271-78-950 % similar 4,4′-Biphenyldicarbonyl chloride2351-37-348 % similar Isophthaloyl chloride99-63-847 % similar 3,4-Dichlorobenzoyl chloride3024-72-445 % 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-Chloronicotinoyl chloride49609-84-9 2,6-Dichloro-3-pyridinecarboxaldehyde55304-73-9

Elsewhere

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