5-bromo-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one

C7H6BrF2NO2 — CID 130110082

IUPAC5-bromo-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one
SMILESCOc1c(C(F)F)[nH]cc(Br)c1=O
InChIInChI=1S/C7H6BrF2NO2/c1-13-6-4(7(9)10)11-2-3(8)5(6)12/h2,7H,1H3,(H,11,12)
InChIKeyVTBBXYDFASJFHK-UHFFFAOYSA-N
MW254.03 g/mol
LogP2.08
Rot. Bonds2

About 5-bromo-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one

5-bromo-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one (PubChem CID 130110082) has the molecular formula C7H6BrF2NO2 and a molecular weight of 254.03 g/mol. Its IUPAC name is 5-bromo-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name5-bromo-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one
PubChem CID130110082
Molecular FormulaC7H6BrF2NO2
Molecular Weight254.03 g/mol
Exact Mass252.95
IUPAC Name5-bromo-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one
SMILESCOc1c(C(F)F)[nH]cc(Br)c1=O
InChIInChI=1S/C7H6BrF2NO2/c1-13-6-4(7(9)10)11-2-3(8)5(6)12/h2,7H,1H3,(H,11,12)
InChIKeyVTBBXYDFASJFHK-UHFFFAOYSA-N
XLogP2.08
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.03
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-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 5-bromo-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one?
The IUPAC name of 5-bromo-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one (CID 130110082) is 5-bromo-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one.
What is the SMILES notation for 5-bromo-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one?
The canonical SMILES for 5-bromo-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one is COc1c(C(F)F)[nH]cc(Br)c1=O.
What is the InChIKey of 5-bromo-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one?
The InChIKey is VTBBXYDFASJFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2NO2/c1-13-6-4(7(9)10)11-2-3(8)5(6)12/h2,7H,1H3,(H,11,12).
What are the key properties of 5-bromo-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one?
5-bromo-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one has a molecular weight of 254.03 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one is sourced from PubChem (CID 130110082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).