Pirfenidone

C₁₂H₁₁NOCAS 53179-13-8185.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₁NO
Molar mass: 185.23 g/mol
Exact mass: 185.0841 Da
logP: 2.15Crippen estimate
Polar surface area: 22.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

53179-13-8

SMILES

Cc1ccc(=O)n(-c2ccccc2)c1

InChIKey

ISWRGOKTTBVCFA-UHFFFAOYSA-N

InChI

InChI=1S/C12H11NO/c1-10-7-8-12(14)13(9-10)11-5-3-2-4-6-11/h2-9H,1H3

Weigh it out

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

Names and synonyms

11 names

2(1H)-Pyridinone, 5-methyl-1-phenyl-
RG-6062
5-Methyl-1-phenyl-2(1H)-pyridinone
5-Methyl-1-phenyl-2(1H)-pyridone
AMR 69
5-Methyl-1-phenyl-1H-pyridin-2-one
Deskar
Pirespa
Esbriet
RG6062
RG 6062

Work with Pirfenidone

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

3-Methyl-1-phenylpyrazolone19735-89-839 % similar Antipyrine60-80-038 % similar Toluene108-88-337 % similar 4-Methylbiphenyl644-08-635 % similar 4-Methylbenzophenone134-84-933 % similar 2,5-Dimethyl-1-phenylpyrrole83-24-933 % similar 3-Methyl-1-phenyl-1H-pyrazole1128-54-732 % similar Diphenyl-p-tolylphosphine1031-93-232 % similar

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

Same formula

3-Hydroxydiphenylamine101-18-8 2-Amino-4-phenylphenol1134-36-7 4-Hydroxydiphenylamine122-37-2 (4-Aminophenoxy)benzene139-59-3 1,2,3,9-Tetrahydro-4H-carbazol-4-one15128-52-6 2-Phenoxyaniline2688-84-8 2,2-Dimethyl-2H-chromene-6-carbonitrile33143-29-2 3-Phenoxybenzenamine3586-12-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook