3-(difluoromethyl)-4,6-difluoro-1H-pyridin-2-one

C6H3F4NO — CID 130099612

IUPAC3-(difluoromethyl)-4,6-difluoro-1H-pyridin-2-one
SMILESO=c1[nH]c(F)cc(F)c1C(F)F
InChIInChI=1S/C6H3F4NO/c7-2-1-3(8)11-6(12)4(2)5(9)10/h1,5H,(H,11,12)
InChIKeyCAOLNLATYZUOKO-UHFFFAOYSA-N
MW181.09 g/mol
LogP1.59
Rot. Bonds1

About 3-(difluoromethyl)-4,6-difluoro-1H-pyridin-2-one

3-(difluoromethyl)-4,6-difluoro-1H-pyridin-2-one (PubChem CID 130099612) has the molecular formula C6H3F4NO and a molecular weight of 181.09 g/mol. Its IUPAC name is 3-(difluoromethyl)-4,6-difluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(difluoromethyl)-4,6-difluoro-1H-pyridin-2-one
PubChem CID130099612
Molecular FormulaC6H3F4NO
Molecular Weight181.09 g/mol
Exact Mass181.02
IUPAC Name3-(difluoromethyl)-4,6-difluoro-1H-pyridin-2-one
SMILESO=c1[nH]c(F)cc(F)c1C(F)F
InChIInChI=1S/C6H3F4NO/c7-2-1-3(8)11-6(12)4(2)5(9)10/h1,5H,(H,11,12)
InChIKeyCAOLNLATYZUOKO-UHFFFAOYSA-N
XLogP1.59
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.09
LogP ≤ 51.59
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

2-bromo-3-(difluoromethyl)-6-fluoro-1H-pyridin-4-one
CID 130109271
4-amino-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
CID 118800770
4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-sulfonyl chloride
CID 118841024
3-(difluoromethyl)-6-iodo-2-oxo-1H-pyridine-4-carbaldehyde
CID 130082831
3-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carboxamide
CID 130079843
4-amino-3-(difluoromethyl)-6-methyl-1H-pyridin-2-one
CID 118823289
6-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde
CID 118842995
2-[4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridin-3-yl]acetic acid
CID 118806945
methyl 4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carboxylate
CID 133106315
3-(difluoromethyl)-4-fluoro-6-methylpyridine-2-carbaldehyde
CID 130081152
6-amino-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde
CID 118992620
6-amino-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde
CID 130104210

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4,6-difluoro-1H-pyridin-2-one?
The IUPAC name of 3-(difluoromethyl)-4,6-difluoro-1H-pyridin-2-one (CID 130099612) is 3-(difluoromethyl)-4,6-difluoro-1H-pyridin-2-one.
What is the SMILES notation for 3-(difluoromethyl)-4,6-difluoro-1H-pyridin-2-one?
The canonical SMILES for 3-(difluoromethyl)-4,6-difluoro-1H-pyridin-2-one is O=c1[nH]c(F)cc(F)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-4,6-difluoro-1H-pyridin-2-one?
The InChIKey is CAOLNLATYZUOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F4NO/c7-2-1-3(8)11-6(12)4(2)5(9)10/h1,5H,(H,11,12).
What are the key properties of 3-(difluoromethyl)-4,6-difluoro-1H-pyridin-2-one?
3-(difluoromethyl)-4,6-difluoro-1H-pyridin-2-one has a molecular weight of 181.09 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4,6-difluoro-1H-pyridin-2-one is sourced from PubChem (CID 130099612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).