chempirical

2-Chloro-N-(2-chloro-4-methyl-3-pyridinyl)-3-pyridinecarboxamide

C12H9Cl2N3OCAS 133627-46-0282.12 g/mol

Open in Covalent MOL file
NClHNONCl
Aryl halide

Properties

Molecular formula
C12H9Cl2N3O
Molar mass
282.12 g/mol
Exact mass
281.0123 Da
Melting point
189–191 °C
logP
3.73Crippen estimate
Polar surface area
58.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
133627-46-0
SMILES
Cc1ccnc(Cl)c1N=C(O)c1cccnc1Cl
InChIKey
UVCHGYJPZGYMSW-UHFFFAOYSA-N
InChI
InChI=1S/C12H9Cl2N3O/c1-7-4-6-16-11(14)9(7)17-12(18)8-3-2-5-15-10(8)13/h2-6H,1H3,(H,17,18)

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Names and synonyms

4 names
  • 3-Pyridinecarboxamide, 2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-
  • Picnic
  • 2-Chloro-N-(2-chloro-4-methyl-3-pyridyl)-3-pyridine carboxamide
  • 2-Chloro-N-(2-chloro-4-methylpyridin-3-yl)nicotinamide

Work with 2-Chloro-N-(2-chloro-4-methyl-3-pyridinyl)-3-pyridinecarboxamide

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

Nevirapine129618-40-253 % similar Boscalid188425-85-649 % similar N-(2,6-Dimethylphenyl)-2-pyridinecarboxamide39627-98-049 % similar 2-Chloronicotinamide10366-35-547 % similar 2-Chloronicotinic acid2942-59-847 % similar 2-Chloro-3-methylpyridine18368-76-846 % similar 2-Chloronicotinoyl chloride49609-84-941 % similar Methyl 2-chloronicotinate40134-18-740 % similar

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

Elsewhere

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