4-bromo-6-chloro-5-(difluoromethyl)-1H-pyridin-2-one

C6H3BrClF2NO — CID 118805950

IUPAC4-bromo-6-chloro-5-(difluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(Br)c(C(F)F)c(Cl)[nH]1
InChIInChI=1S/C6H3BrClF2NO/c7-2-1-3(12)11-5(8)4(2)6(9)10/h1,6H,(H,11,12)
InChIKeyDEQIPRCFNWGKPJ-UHFFFAOYSA-N
MW258.45 g/mol
LogP2.73
Rot. Bonds1

About 4-bromo-6-chloro-5-(difluoromethyl)-1H-pyridin-2-one

4-bromo-6-chloro-5-(difluoromethyl)-1H-pyridin-2-one (PubChem CID 118805950) has the molecular formula C6H3BrClF2NO and a molecular weight of 258.45 g/mol. Its IUPAC name is 4-bromo-6-chloro-5-(difluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-bromo-6-chloro-5-(difluoromethyl)-1H-pyridin-2-one
PubChem CID118805950
Molecular FormulaC6H3BrClF2NO
Molecular Weight258.45 g/mol
Exact Mass256.91
IUPAC Name4-bromo-6-chloro-5-(difluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(Br)c(C(F)F)c(Cl)[nH]1
InChIInChI=1S/C6H3BrClF2NO/c7-2-1-3(12)11-5(8)4(2)6(9)10/h1,6H,(H,11,12)
InChIKeyDEQIPRCFNWGKPJ-UHFFFAOYSA-N
XLogP2.73
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-bromo-6-chloro-5-(difluoromethyl)-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-bromo-6-chloro-5-(difluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4-bromo-6-chloro-5-(difluoromethyl)-1H-pyridin-2-one (CID 118805950) is 4-bromo-6-chloro-5-(difluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-bromo-6-chloro-5-(difluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-bromo-6-chloro-5-(difluoromethyl)-1H-pyridin-2-one is O=c1cc(Br)c(C(F)F)c(Cl)[nH]1.
What is the InChIKey of 4-bromo-6-chloro-5-(difluoromethyl)-1H-pyridin-2-one?
The InChIKey is DEQIPRCFNWGKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClF2NO/c7-2-1-3(12)11-5(8)4(2)6(9)10/h1,6H,(H,11,12).
What are the key properties of 4-bromo-6-chloro-5-(difluoromethyl)-1H-pyridin-2-one?
4-bromo-6-chloro-5-(difluoromethyl)-1H-pyridin-2-one has a molecular weight of 258.45 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-chloro-5-(difluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118805950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).