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

C7H6BrF2NO — CID 118838652

IUPAC4-bromo-5-(difluoromethyl)-6-methyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)cc(Br)c1C(F)F
InChIInChI=1S/C7H6BrF2NO/c1-3-6(7(9)10)4(8)2-5(12)11-3/h2,7H,1H3,(H,11,12)
InChIKeyUQEZWKSTQMOYOZ-UHFFFAOYSA-N
MW238.03 g/mol
LogP2.38
Rot. Bonds1

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

4-bromo-5-(difluoromethyl)-6-methyl-1H-pyridin-2-one (PubChem CID 118838652) has the molecular formula C7H6BrF2NO and a molecular weight of 238.03 g/mol. Its IUPAC name is 4-bromo-5-(difluoromethyl)-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-bromo-5-(difluoromethyl)-6-methyl-1H-pyridin-2-one
PubChem CID118838652
Molecular FormulaC7H6BrF2NO
Molecular Weight238.03 g/mol
Exact Mass236.96
IUPAC Name4-bromo-5-(difluoromethyl)-6-methyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)cc(Br)c1C(F)F
InChIInChI=1S/C7H6BrF2NO/c1-3-6(7(9)10)4(8)2-5(12)11-3/h2,7H,1H3,(H,11,12)
InChIKeyUQEZWKSTQMOYOZ-UHFFFAOYSA-N
XLogP2.38
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.03
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-bromo-5-(difluoromethyl)-6-methyl-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

Related Compounds

6-Methyl-4-(trifluoromethyl)pyridin-2(1H)-one
CID 2782992
3-Bromo-5,6-dimethyl-2(1H)-pyridinone
CID 50944339
4-Methyl-6-(trifluoromethyl)pyridin-2(1H)-one
CID 10035141
5-Methyl-6-(trifluoromethyl)pyridin-2-ol
CID 58172802
4-fluoro-5,6-dimethyl-1H-pyridin-2-one
CID 122545020
5-(bromomethyl)-6-ethyl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 123514568
6-Methyl-5-(trifluoromethyl)pyridin-2-ol
CID 143625923
5-bromo-6-propan-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 163557557
4,6-dimethyl-5-(trifluoromethyl)-1H-pyridin-2-one
CID 166536053
3-bromo-6-methyl-5-(trifluoromethyl)-1H-pyridin-2-one
CID 169248960
4,6-dimethyl-5-(trifluoromethyl)-1H-pyridin-2-one;ethane
CID 172279065
4-methyl-5,6-bis(trifluoromethyl)-1H-pyridin-2-one
CID 173378863

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(difluoromethyl)-6-methyl-1H-pyridin-2-one?
The IUPAC name of 4-bromo-5-(difluoromethyl)-6-methyl-1H-pyridin-2-one (CID 118838652) is 4-bromo-5-(difluoromethyl)-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-bromo-5-(difluoromethyl)-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-bromo-5-(difluoromethyl)-6-methyl-1H-pyridin-2-one is Cc1[nH]c(=O)cc(Br)c1C(F)F.
What is the InChIKey of 4-bromo-5-(difluoromethyl)-6-methyl-1H-pyridin-2-one?
The InChIKey is UQEZWKSTQMOYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2NO/c1-3-6(7(9)10)4(8)2-5(12)11-3/h2,7H,1H3,(H,11,12).
What are the key properties of 4-bromo-5-(difluoromethyl)-6-methyl-1H-pyridin-2-one?
4-bromo-5-(difluoromethyl)-6-methyl-1H-pyridin-2-one has a molecular weight of 238.03 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(difluoromethyl)-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 118838652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).