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

C7H6F3NO — CID 118828819

IUPAC4-(difluoromethyl)-6-fluoro-5-methyl-1H-pyridin-2-one
SMILESCc1c(C(F)F)cc(=O)[nH]c1F
InChIInChI=1S/C7H6F3NO/c1-3-4(6(8)9)2-5(12)11-7(3)10/h2,6H,1H3,(H,11,12)
InChIKeyBYZAIGHKKJTFIK-UHFFFAOYSA-N
MW177.12 g/mol
LogP1.76
Rot. Bonds1

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

4-(difluoromethyl)-6-fluoro-5-methyl-1H-pyridin-2-one (PubChem CID 118828819) has the molecular formula C7H6F3NO and a molecular weight of 177.12 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-fluoro-5-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-6-fluoro-5-methyl-1H-pyridin-2-one
PubChem CID118828819
Molecular FormulaC7H6F3NO
Molecular Weight177.12 g/mol
Exact Mass177.04
IUPAC Name4-(difluoromethyl)-6-fluoro-5-methyl-1H-pyridin-2-one
SMILESCc1c(C(F)F)cc(=O)[nH]c1F
InChIInChI=1S/C7H6F3NO/c1-3-4(6(8)9)2-5(12)11-7(3)10/h2,6H,1H3,(H,11,12)
InChIKeyBYZAIGHKKJTFIK-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 4-(difluoromethyl)-6-fluoro-5-methyl-1H-pyridin-2-one?
The IUPAC name of 4-(difluoromethyl)-6-fluoro-5-methyl-1H-pyridin-2-one (CID 118828819) is 4-(difluoromethyl)-6-fluoro-5-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-6-fluoro-5-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-(difluoromethyl)-6-fluoro-5-methyl-1H-pyridin-2-one is Cc1c(C(F)F)cc(=O)[nH]c1F.
What is the InChIKey of 4-(difluoromethyl)-6-fluoro-5-methyl-1H-pyridin-2-one?
The InChIKey is BYZAIGHKKJTFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO/c1-3-4(6(8)9)2-5(12)11-7(3)10/h2,6H,1H3,(H,11,12).
What are the key properties of 4-(difluoromethyl)-6-fluoro-5-methyl-1H-pyridin-2-one?
4-(difluoromethyl)-6-fluoro-5-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 4-(difluoromethyl)-6-fluoro-5-methyl-1H-pyridin-2-one is sourced from PubChem (CID 118828819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).