2-Chloronicotinamide

C6H5ClN2OCAS 10366-35-5156.57 g/mol

Open in Covalent MOL file
H2NONCl
Aryl halide

Properties

Molecular formula
C6H5ClN2O
Molar mass
156.57 g/mol
Exact mass
156.0090 Da
Melting point
163–164 °C
logP
1.62Crippen estimate
Polar surface area
57.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 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
10366-35-5
SMILES
N=C(O)c1cccnc1Cl
InChIKey
ZQZAHPFFZWEUCL-UHFFFAOYSA-N
InChI
InChI=1S/C6H5ClN2O/c7-5-4(6(8)10)2-1-3-9-5/h1-3H,(H2,8,10)

Weigh it out

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Names and synonyms

3 names
  • 3-Pyridinecarboxamide, 2-chloro-
  • Nicotinamide, 2-chloro-
  • 2-Chloro-3-pyridinecarboxamide

Work with 2-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

2-Chloronicotinic acid2942-59-864 % similar 2-Methyl-3-pyridinecarboxamide58539-65-459 % similar Phthalamide88-96-052 % similar 2-Chlorobenzamide609-66-552 % similar 2-Chloronicotinoyl chloride49609-84-951 % similar 3-Acetyl-2-chloropyridine55676-21-650 % similar 3-Hydroxypicolinamide933-90-447 % similar 2-Pyridinecarboxamide1452-77-347 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloroisonicotinamide100859-84-5 4-Amino-2-chloronicotinaldehyde338452-92-9 5-Chloropyridine-2-carboxamide370104-72-6 6-Chloronicotinamide6271-78-9 4-Chloropyridine-2-carboxamide99586-65-9

Elsewhere

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