2-Chloroisonicotinamide

C₆H₅ClN₂OCAS 100859-84-5156.57 g/mol

Open in Covalent MOL file

Amide Aryl halide

Properties

Molecular formula: C₆H₅ClN₂O
Molar mass: 156.57 g/mol
Exact mass: 156.0090 Da
logP: 0.83Crippen estimate
Polar surface area: 56.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.2% of notifiers

Aggregated from 36 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

100859-84-5

SMILES

C1=CN=C(C=C1C(=O)N)Cl

InChIKey

DEMJOLRJLACBRX-UHFFFAOYSA-N

InChI

InChI=1S/C6H5ClN2O/c7-5-3-4(6(8)10)1-2-9-5/h1-3H,(H2,8,10)

Weigh it out

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

Work with 2-Chloroisonicotinamide

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

2-Chloroisonicotinic acid6313-54-861 % similar Methyl 2-chloroisonicotinate58481-11-156 % similar Isonicotinamide1453-82-350 % similar 4-Amino-2-chloropyridine14432-12-347 % similar 2,4-Dichloropyridine26452-80-245 % similar 4-Chlorobenzamide619-56-744 % similar Terephthalamide3010-82-043 % similar 2-Chloro-4-(trifluoromethyl)pyridine81565-18-643 % similar

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

Same formula

2-Chloronicotinamide10366-35-5 6-Chloronicotinamide6271-78-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook