3,4-difluoro-1H-pyridin-2-one

C5H3F2NO — CID 69343277

IUPAC3,4-difluoro-1H-pyridin-2-one
SMILESO=c1[nH]ccc(F)c1F
InChIInChI=1S/C5H3F2NO/c6-3-1-2-8-5(9)4(3)7/h1-2H,(H,8,9)
InChIKeyWXIQWZGRFNSJLE-UHFFFAOYSA-N
MW131.08 g/mol
LogP0.65
Rot. Bonds

About 3,4-difluoro-1H-pyridin-2-one

3,4-difluoro-1H-pyridin-2-one (PubChem CID 69343277) has the molecular formula C5H3F2NO and a molecular weight of 131.08 g/mol. Its IUPAC name is 3,4-difluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name3,4-difluoro-1H-pyridin-2-one
PubChem CID69343277
Molecular FormulaC5H3F2NO
Molecular Weight131.08 g/mol
Exact Mass131.02
IUPAC Name3,4-difluoro-1H-pyridin-2-one
SMILESO=c1[nH]ccc(F)c1F
InChIInChI=1S/C5H3F2NO/c6-3-1-2-8-5(9)4(3)7/h1-2H,(H,8,9)
InChIKeyWXIQWZGRFNSJLE-UHFFFAOYSA-N
XLogP0.65
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.08
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Pyridone
CID 8871
3-Fluoro-2-hydroxypyridine
CID 2783363
4-Amino-3-fluoro-2(1H)-pyridinone
CID 13914611
4-Fluoropyridin-2(1H)-one
CID 338459
5-Fluoro-2-hydroxypyridine
CID 2762864
3-Bromo-4-fluoropyridin-2(1H)-one
CID 127263633
3-Fluoro-4-(trifluoromethyl)pyridin-2-ol
CID 53435090
4-fluoro-5-iodo-1H-pyridin-2-one
CID 68110419
4-Fluoro-3-methylpyridin-2-ol
CID 72212936
4-Bromo-3-fluoropyridin-2-ol
CID 118839380
Diiodopyridone
CID 90113164
2(1H)-Pyridinone, 3,5-difluoro-
CID 12000513

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-1H-pyridin-2-one?
The IUPAC name of 3,4-difluoro-1H-pyridin-2-one (CID 69343277) is 3,4-difluoro-1H-pyridin-2-one.
What is the SMILES notation for 3,4-difluoro-1H-pyridin-2-one?
The canonical SMILES for 3,4-difluoro-1H-pyridin-2-one is O=c1[nH]ccc(F)c1F.
What is the InChIKey of 3,4-difluoro-1H-pyridin-2-one?
The InChIKey is WXIQWZGRFNSJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F2NO/c6-3-1-2-8-5(9)4(3)7/h1-2H,(H,8,9).
What are the key properties of 3,4-difluoro-1H-pyridin-2-one?
3,4-difluoro-1H-pyridin-2-one has a molecular weight of 131.08 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-1H-pyridin-2-one is sourced from PubChem (CID 69343277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).