4-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyridin-2-one

C12H8ClF2NO — CID 152730803

IUPAC4-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyridin-2-one
SMILESO=c1cc(-c2cc(Cl)ccc2C(F)F)cc[nH]1
InChIInChI=1S/C12H8ClF2NO/c13-8-1-2-9(12(14)15)10(6-8)7-3-4-16-11(17)5-7/h1-6,12H,(H,16,17)
InChIKeyZXOTUHRRROPTPW-UHFFFAOYSA-N
MW255.65 g/mol
LogP3.63
Rot. Bonds2

About 4-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyridin-2-one

4-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyridin-2-one (PubChem CID 152730803) has the molecular formula C12H8ClF2NO and a molecular weight of 255.65 g/mol. Its IUPAC name is 4-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyridin-2-one
PubChem CID152730803
Molecular FormulaC12H8ClF2NO
Molecular Weight255.65 g/mol
Exact Mass255.03
IUPAC Name4-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyridin-2-one
SMILESO=c1cc(-c2cc(Cl)ccc2C(F)F)cc[nH]1
InChIInChI=1S/C12H8ClF2NO/c13-8-1-2-9(12(14)15)10(6-8)7-3-4-16-11(17)5-7/h1-6,12H,(H,16,17)
InChIKeyZXOTUHRRROPTPW-UHFFFAOYSA-N
XLogP3.63
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.65
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyridin-2-one?
The IUPAC name of 4-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyridin-2-one (CID 152730803) is 4-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyridin-2-one is O=c1cc(-c2cc(Cl)ccc2C(F)F)cc[nH]1.
What is the InChIKey of 4-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyridin-2-one?
The InChIKey is ZXOTUHRRROPTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2NO/c13-8-1-2-9(12(14)15)10(6-8)7-3-4-16-11(17)5-7/h1-6,12H,(H,16,17).
What are the key properties of 4-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyridin-2-one?
4-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyridin-2-one has a molecular weight of 255.65 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 152730803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).