chempirical

6-Chloronicotinamide

C6H5ClN2OCAS 6271-78-9156.57 g/mol

Open in Covalent MOL file
H2NOClN
Aryl halide

Properties

Molecular formula
C6H5ClN2O
Molar mass
156.57 g/mol
Exact mass
156.0090 Da
Melting point
213.5–214.2 °C
logP
1.62Crippen estimate
Polar surface area
57.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
6271-78-9
SMILES
N=C(O)c1ccc(Cl)nc1
InChIKey
ZIJAZUBWHAZHPL-UHFFFAOYSA-N
InChI
InChI=1S/C6H5ClN2O/c7-5-2-1-4(3-9-5)6(8)10/h1-3H,(H2,8,10)

Weigh it out

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

Names and synonyms

5 names
  • 3-Pyridinecarboxamide, 6-chloro-
  • Nicotinamide, 6-chloro-
  • 6-Chloro-3-pyridinecarboxamide
  • 2-Chloro-5-carbamoylpyridine
  • NSC 37821

Work with 6-Chloronicotinamide

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

6-Chloronicotinic acid5326-23-858 % similar 6-Methylnicotinamide6960-22-158 % similar 6-(Trifluoromethyl)-3-pyridinecarboxamide386715-35-153 % similar 6-Chloronicotinoyl chloride58757-38-350 % similar Nicotinamide98-92-047 % similar 1,3-Benzenedicarboxamide1740-57-445 % similar Nicotinamide hydriodide3726-23-643 % similar 3-Chlorobenzamide618-48-443 % similar

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

Same formula

2-Chloroisonicotinamide100859-84-5 2-Chloronicotinamide10366-35-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook