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

C7H6F3NO — CID 130079333

IUPAC3-(difluoromethyl)-6-fluoro-4-methyl-1H-pyridin-2-one
SMILESCc1cc(F)[nH]c(=O)c1C(F)F
InChIInChI=1S/C7H6F3NO/c1-3-2-4(8)11-7(12)5(3)6(9)10/h2,6H,1H3,(H,11,12)
InChIKeyGYLWAOGAFINAAR-UHFFFAOYSA-N
MW177.12 g/mol
LogP1.76
Rot. Bonds1

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

3-(difluoromethyl)-6-fluoro-4-methyl-1H-pyridin-2-one (PubChem CID 130079333) has the molecular formula C7H6F3NO and a molecular weight of 177.12 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-fluoro-4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(difluoromethyl)-6-fluoro-4-methyl-1H-pyridin-2-one
PubChem CID130079333
Molecular FormulaC7H6F3NO
Molecular Weight177.12 g/mol
Exact Mass177.04
IUPAC Name3-(difluoromethyl)-6-fluoro-4-methyl-1H-pyridin-2-one
SMILESCc1cc(F)[nH]c(=O)c1C(F)F
InChIInChI=1S/C7H6F3NO/c1-3-2-4(8)11-7(12)5(3)6(9)10/h2,6H,1H3,(H,11,12)
InChIKeyGYLWAOGAFINAAR-UHFFFAOYSA-N
XLogP1.76
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.12
LogP ≤ 51.76
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 3-(difluoromethyl)-6-fluoro-4-methyl-1H-pyridin-2-one?
The IUPAC name of 3-(difluoromethyl)-6-fluoro-4-methyl-1H-pyridin-2-one (CID 130079333) is 3-(difluoromethyl)-6-fluoro-4-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(difluoromethyl)-6-fluoro-4-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-(difluoromethyl)-6-fluoro-4-methyl-1H-pyridin-2-one is Cc1cc(F)[nH]c(=O)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-6-fluoro-4-methyl-1H-pyridin-2-one?
The InChIKey is GYLWAOGAFINAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO/c1-3-2-4(8)11-7(12)5(3)6(9)10/h2,6H,1H3,(H,11,12).
What are the key properties of 3-(difluoromethyl)-6-fluoro-4-methyl-1H-pyridin-2-one?
3-(difluoromethyl)-6-fluoro-4-methyl-1H-pyridin-2-one has a molecular weight of 177.12 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-6-fluoro-4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 130079333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).