2-(2-Aminobenzoyl)pyridine

C₁₂H₁₀N₂OCAS 42471-56-7198.22 g/mol

Open in Covalent MOL file

Ketone Primary amine

Properties

Molecular formula: C₁₂H₁₀N₂O
Molar mass: 198.22 g/mol
Exact mass: 198.0793 Da
logP: 1.89Crippen estimate
Polar surface area: 56.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled50% of notifiers
H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

42471-56-7

SMILES

C1=CC=C(C(=C1)C(=O)C2=CC=CC=N2)N

InChIKey

WEWXXYDHYCDEKY-UHFFFAOYSA-N

InChI

InChI=1S/C12H10N2O/c13-10-6-2-1-5-9(10)12(15)11-7-3-4-8-14-11/h1-8H,13H2

Weigh it out

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

Work with 2-(2-Aminobenzoyl)pyridine

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-Pyridyl ketone19437-26-463 % similar 2-Aminobenzophenone2835-77-056 % similar 2-Benzoylpyridine91-02-156 % similar 2-(2-Aminobenzoyl)benzoic acid1147-43-950 % similar 2-Amino-4'-bromobenzophenone1140-17-649 % similar 2-Amino-4′-chlorobenzophenone2894-51-149 % similar 2′-Amino-4-fluorobenzophenone3800-06-449 % similar (4-Chlorophenyl)-2-pyridinylmethanone6318-51-049 % 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 Nicotinanilide1752-96-1 Phenyl 2-pyridyl ketoxime1826-28-4 Azoxybenzene495-48-7 4,5-Phenanthroline monohydrate5144-89-8 N-Nitrosodiphenylamine86-30-6

Elsewhere

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