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

C7H6BrF2NO — CID 130110088

IUPAC6-bromo-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one
SMILESCc1c(C(F)F)cc(=O)[nH]c1Br
InChIInChI=1S/C7H6BrF2NO/c1-3-4(7(9)10)2-5(12)11-6(3)8/h2,7H,1H3,(H,11,12)
InChIKeyISDICJXNAFSVPU-UHFFFAOYSA-N
MW238.03 g/mol
LogP2.38
Rot. Bonds1

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

6-bromo-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one (PubChem CID 130110088) has the molecular formula C7H6BrF2NO and a molecular weight of 238.03 g/mol. Its IUPAC name is 6-bromo-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-bromo-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one
PubChem CID130110088
Molecular FormulaC7H6BrF2NO
Molecular Weight238.03 g/mol
Exact Mass236.96
IUPAC Name6-bromo-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one
SMILESCc1c(C(F)F)cc(=O)[nH]c1Br
InChIInChI=1S/C7H6BrF2NO/c1-3-4(7(9)10)2-5(12)11-6(3)8/h2,7H,1H3,(H,11,12)
InChIKeyISDICJXNAFSVPU-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

6-(aminomethyl)-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one
CID 118808535
2-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-4-one
CID 119002782
5-chloro-4-(difluoromethyl)-6-methyl-1H-pyridin-2-one
CID 130072325
5-bromo-6-(chloromethyl)-4-(difluoromethyl)-1H-pyridin-2-one
CID 130110248
1-bromo-3-(difluoromethyl)-5-fluoro-2-methylbenzene
CID 131267533
4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carbaldehyde
CID 118818290
4-amino-6-(difluoromethyl)-5-methyl-1H-pyridin-2-one
CID 118817701
2-[4-(difluoromethyl)-2-methyl-6-oxo-1H-pyridin-3-yl]acetonitrile
CID 118834226
5-(bromomethyl)-4-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one
CID 130100163
2-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carboxylic acid
CID 119022040
5-amino-6-(bromomethyl)-4-(difluoromethyl)-1H-pyridin-2-one
CID 130104680
4-(difluoromethyl)-6-iodo-5-methoxy-1H-pyridin-2-one
CID 118812764

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one?
The IUPAC name of 6-bromo-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one (CID 130110088) is 6-bromo-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one.
What is the SMILES notation for 6-bromo-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one?
The canonical SMILES for 6-bromo-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one is Cc1c(C(F)F)cc(=O)[nH]c1Br.
What is the InChIKey of 6-bromo-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one?
The InChIKey is ISDICJXNAFSVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2NO/c1-3-4(7(9)10)2-5(12)11-6(3)8/h2,7H,1H3,(H,11,12).
What are the key properties of 6-bromo-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one?
6-bromo-4-(difluoromethyl)-5-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 6-bromo-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one is sourced from PubChem (CID 130110088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).