Chemical substance record

Pirfenidone

53179-13-8C₁₂H₁₁NO185.226 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A pyridone that is 2-pyridone substituted at positions 1 and 5 by phenyl and methyl groups respectively. An anti-inflammatory drug used for the treatment of idiopathic pulmonary fibrosis. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values

CAS number	53179-13-8	ChEBI ↗
Molecular formula	C₁₂H₁₁NO	ChEBI ↗
Molar mass	185.226 g/mol	ChEBI ↗
Monoisotopic mass	185.08406 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:32016	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	185.22 g/mol	PubChem ↗
Exact mass	185.084063974 Da	PubChem ↗
Computed XLogP	1.9	PubChem ↗
Topological polar surface area (Å²)	20.3	PubChem ↗
H-bond donors	0	PubChem ↗
H-bond acceptors	1	PubChem ↗
Rotatable bonds	1	PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

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Source preferred name

pirfenidone

IUPAC name

5-methyl-1-phenylpyridin-2(1H)-one

InChIKey

ISWRGOKTTBVCFA-UHFFFAOYSA-N

SMILES

Cc1ccc(=O)n(-c2ccccc2)c1

InChI

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

Names & synonyms

5-methyl-1-phenylpyridin-2(1H)-oneEsbrietpirfenidonapirfenidonum

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology

pyridoneChEBI parent class · 38183 ↗

organic heterocyclic compound organic molecular entity

Roles recorded in ChEBI

antiviral agentantifibrotic agentantimicrobial agentnon-steroidal anti-inflammatory drugnon-narcotic analgesicantipyreticcardiovascular drugantineoplastic agentimmunosuppressive agentnephroprotective agent

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass

Amount

Input unit

Equivalent amount

0.00539881 mol

Uses 185.226 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions

C

Carbon · 12 atoms

77.81%

O

Oxygen · 1 atom

8.64%

N

Nitrogen · 1 atom

7.56%

H

Hydrogen · 11 atoms

5.99%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations

Assessment of 8-methosypsoralen, lomefloxacin, sparfloxacin, and Pirfenidone phototoxicity in Long-Evans rats. ↗International journal of toxicology · 2015 Jan-Feb · PMID 25432946

Pirfenidone—a ray of hope in oral sub mucous fibrosis. ↗Oral oncology · 2015 Jan · PMID 25459156

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:32016

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

Additional molecular descriptorsNCBI PubChem · CID 40632 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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