6-Chloronicotinamide

C₆H₅ClN₂OCAS 6271-78-9156.57 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)nicotinamide386715-35-153 % similar 6-Chloronicotinoyl chloride58757-38-350 % similar 2-Chloro-5-acetylpyridine55676-22-749 % similar Nicotinamide98-92-047 % similar 1,3-Benzenedicarboxamide1740-57-445 % similar 6-Chloropyridine-3-carbohydrazide168893-66-145 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloroisonicotinamide100859-84-5 2-Chloronicotinamide10366-35-5 4-Amino-2-chloronicotinaldehyde338452-92-9 5-Chloropyridine-2-carboxamide370104-72-6 4-Chloropyridine-2-carboxamide99586-65-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook