chempirical

Nicotinanilide

C12H10N2OCAS 1752-96-1198.22 g/mol

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Properties

Molecular formula
C12H10N2O
Molar mass
198.22 g/mol
Exact mass
198.0793 Da
Melting point
124–126 °C
logP
2.72Crippen estimate
Polar surface area
45.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 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
1752-96-1
SMILES
OC(=Nc1ccccc1)c1cccnc1
InChIKey
NYQXIOZBHWFCBU-UHFFFAOYSA-N
InChI
InChI=1S/C12H10N2O/c15-12(10-5-4-8-13-9-10)14-11-6-2-1-3-7-11/h1-9H,(H,14,15)

Weigh it out

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

Names and synonyms

6 names
  • 3-Pyridinecarboxamide, N-phenyl-
  • N-Phenyl-3-pyridinecarboxamide
  • N-Phenylnicotinamide
  • 3-Pyridylcarboxanilide
  • 3-Phenylaminocarbonylpyridine
  • NSC 108206

Work with Nicotinanilide

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

Benzanilide93-98-166 % similar N′-Methylnicotinamide114-33-062 % similar Nicotinyl hydrazide553-53-762 % similar N-(Hydroxymethyl)nicotinamide3569-99-158 % similar N-(2-Hydroxyethyl)nicotinamide6265-73-255 % similar Nicotinuric acid583-08-453 % similar Nicaraven79455-30-449 % similar Phenyl-3-pyridinylmethanone5424-19-149 % similar

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

Same formula

4′-Methyl[2,2′-bipyridine]-4-carboxaldehyde104704-09-8 4-Nitrosodiphenylamine156-10-5 Solvent yellow 71689-82-3 Phenyl 2-pyridyl ketoxime1826-28-4 2-(2-Aminobenzoyl)pyridine42471-56-7 Azoxybenzene495-48-7 4,5-Phenanthroline monohydrate5144-89-8 N-Nitrosodiphenylamine86-30-6

Elsewhere

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