6-bromo-3-(difluoromethyl)-5-methyl-1H-pyridin-2-one

C7H6BrF2NO — CID 119010243

IUPAC6-bromo-3-(difluoromethyl)-5-methyl-1H-pyridin-2-one
SMILESCc1cc(C(F)F)c(=O)[nH]c1Br
InChIInChI=1S/C7H6BrF2NO/c1-3-2-4(6(9)10)7(12)11-5(3)8/h2,6H,1H3,(H,11,12)
InChIKeyDHXGMLCZQDWGBG-UHFFFAOYSA-N
MW238.03 g/mol
LogP2.38
Rot. Bonds1

About 6-bromo-3-(difluoromethyl)-5-methyl-1H-pyridin-2-one

6-bromo-3-(difluoromethyl)-5-methyl-1H-pyridin-2-one (PubChem CID 119010243) has the molecular formula C7H6BrF2NO and a molecular weight of 238.03 g/mol. Its IUPAC name is 6-bromo-3-(difluoromethyl)-5-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-bromo-3-(difluoromethyl)-5-methyl-1H-pyridin-2-one
PubChem CID119010243
Molecular FormulaC7H6BrF2NO
Molecular Weight238.03 g/mol
Exact Mass236.96
IUPAC Name6-bromo-3-(difluoromethyl)-5-methyl-1H-pyridin-2-one
SMILESCc1cc(C(F)F)c(=O)[nH]c1Br
InChIInChI=1S/C7H6BrF2NO/c1-3-2-4(6(9)10)7(12)11-5(3)8/h2,6H,1H3,(H,11,12)
InChIKeyDHXGMLCZQDWGBG-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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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(difluoromethyl)-5-methyl-1H-pyridin-2-one?
The IUPAC name of 6-bromo-3-(difluoromethyl)-5-methyl-1H-pyridin-2-one (CID 119010243) is 6-bromo-3-(difluoromethyl)-5-methyl-1H-pyridin-2-one.
What is the SMILES notation for 6-bromo-3-(difluoromethyl)-5-methyl-1H-pyridin-2-one?
The canonical SMILES for 6-bromo-3-(difluoromethyl)-5-methyl-1H-pyridin-2-one is Cc1cc(C(F)F)c(=O)[nH]c1Br.
What is the InChIKey of 6-bromo-3-(difluoromethyl)-5-methyl-1H-pyridin-2-one?
The InChIKey is DHXGMLCZQDWGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2NO/c1-3-2-4(6(9)10)7(12)11-5(3)8/h2,6H,1H3,(H,11,12).
What are the key properties of 6-bromo-3-(difluoromethyl)-5-methyl-1H-pyridin-2-one?
6-bromo-3-(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-3-(difluoromethyl)-5-methyl-1H-pyridin-2-one is sourced from PubChem (CID 119010243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).