2-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-4-one

C7H6BrF2NO — CID 119002782

IUPAC2-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-4-one
SMILESCc1c(Br)[nH]c(C(F)F)cc1=O
InChIInChI=1S/C7H6BrF2NO/c1-3-5(12)2-4(7(9)10)11-6(3)8/h2,7H,1H3,(H,11,12)
InChIKeyCVXAVWTZORCZKZ-UHFFFAOYSA-N
MW238.03 g/mol
LogP2.38
Rot. Bonds1

About 2-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-4-one

2-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-4-one (PubChem CID 119002782) has the molecular formula C7H6BrF2NO and a molecular weight of 238.03 g/mol. Its IUPAC name is 2-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-4-one
PubChem CID119002782
Molecular FormulaC7H6BrF2NO
Molecular Weight238.03 g/mol
Exact Mass236.96
IUPAC Name2-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-4-one
SMILESCc1c(Br)[nH]c(C(F)F)cc1=O
InChIInChI=1S/C7H6BrF2NO/c1-3-5(12)2-4(7(9)10)11-6(3)8/h2,7H,1H3,(H,11,12)
InChIKeyCVXAVWTZORCZKZ-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

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-6-(difluoromethyl)-4-methyl-1H-pyridin-2-one
CID 130110117
6-(difluoromethyl)-3-methyl-4-oxo-1H-pyridine-2-carbonitrile
CID 130076488
2-[2-bromo-6-(difluoromethyl)-4-oxo-1H-pyridin-3-yl]acetonitrile
CID 130110321
6-bromo-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one
CID 130110088
7-chloro-2-(difluoromethyl)-8-methyl-1H-quinolin-4-one
CID 62891407
6-(difluoromethyl)-2-methyl-4-oxo-1H-pyridine-3-sulfonyl chloride
CID 130084088
2-(difluoromethyl)-5,7-dimethyl-1H-quinolin-4-one
CID 62892262
3-bromo-6-(difluoromethyl)-2-nitro-1H-pyridin-4-one
CID 130110150
3-chloro-6-(difluoromethyl)-2-methoxy-1H-pyridin-4-one
CID 130072304
2-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-4-one
CID 118825989
6,8-dibromo-2-(difluoromethyl)-5-methoxy-1H-quinolin-4-one
CID 103416536
8-bromo-2-(difluoromethyl)-5-fluoro-1H-quinolin-4-one
CID 107628086

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-4-one?
The IUPAC name of 2-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-4-one (CID 119002782) is 2-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-4-one.
What is the SMILES notation for 2-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-4-one?
The canonical SMILES for 2-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-4-one is Cc1c(Br)[nH]c(C(F)F)cc1=O.
What is the InChIKey of 2-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-4-one?
The InChIKey is CVXAVWTZORCZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2NO/c1-3-5(12)2-4(7(9)10)11-6(3)8/h2,7H,1H3,(H,11,12).
What are the key properties of 2-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-4-one?
2-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-4-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 2-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-4-one is sourced from PubChem (CID 119002782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).