5-(difluoromethyl)-2-fluoro-4-oxo-1H-pyridine-3-carboxylic acid

C7H4F3NO3 — CID 130079670

IUPAC5-(difluoromethyl)-2-fluoro-4-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c(F)[nH]cc(C(F)F)c1=O
InChIInChI=1S/C7H4F3NO3/c8-5(9)2-1-11-6(10)3(4(2)12)7(13)14/h1,5H,(H,11,12)(H,13,14)
InChIKeyHIYGWQYSIHNKJQ-UHFFFAOYSA-N
MW207.11 g/mol
LogP1.15
Rot. Bonds2

About 5-(difluoromethyl)-2-fluoro-4-oxo-1H-pyridine-3-carboxylic acid

5-(difluoromethyl)-2-fluoro-4-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 130079670) has the molecular formula C7H4F3NO3 and a molecular weight of 207.11 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-fluoro-4-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(difluoromethyl)-2-fluoro-4-oxo-1H-pyridine-3-carboxylic acid
PubChem CID130079670
Molecular FormulaC7H4F3NO3
Molecular Weight207.11 g/mol
Exact Mass207.01
IUPAC Name5-(difluoromethyl)-2-fluoro-4-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c(F)[nH]cc(C(F)F)c1=O
InChIInChI=1S/C7H4F3NO3/c8-5(9)2-1-11-6(10)3(4(2)12)7(13)14/h1,5H,(H,11,12)(H,13,14)
InChIKeyHIYGWQYSIHNKJQ-UHFFFAOYSA-N
XLogP1.15
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-(difluoromethyl)-2-fluoro-4-oxo-1H-pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-5-(difluoromethyl)-2-fluoro-1H-pyridin-4-one
CID 130103833
3-bromo-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylic acid
CID 130110437
3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 130104913
4-bromo-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 118839882
5-(difluoromethyl)-2-methyl-4-oxo-1H-pyridine-3-carbonyl chloride
CID 130084068
ethyl 5-(difluoromethyl)-2-methyl-4-oxo-1H-pyridine-3-carboxylate
CID 133103325
2-[5-(difluoromethyl)-2-fluoro-4-oxo-1H-pyridin-3-yl]acetonitrile
CID 130079563
2-[5-(difluoromethyl)-3-hydroxy-4-oxo-1H-pyridin-2-yl]acetic acid
CID 130100311
5-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridine-3-carboxylic acid
CID 130079672
2-[3-amino-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetic acid
CID 133093442
methyl 2-(chloromethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxylate
CID 130085281
ethyl 2-cyano-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxylate
CID 134662550

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-fluoro-4-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-(difluoromethyl)-2-fluoro-4-oxo-1H-pyridine-3-carboxylic acid (CID 130079670) is 5-(difluoromethyl)-2-fluoro-4-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(difluoromethyl)-2-fluoro-4-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-(difluoromethyl)-2-fluoro-4-oxo-1H-pyridine-3-carboxylic acid is O=C(O)c1c(F)[nH]cc(C(F)F)c1=O.
What is the InChIKey of 5-(difluoromethyl)-2-fluoro-4-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is HIYGWQYSIHNKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO3/c8-5(9)2-1-11-6(10)3(4(2)12)7(13)14/h1,5H,(H,11,12)(H,13,14).
What are the key properties of 5-(difluoromethyl)-2-fluoro-4-oxo-1H-pyridine-3-carboxylic acid?
5-(difluoromethyl)-2-fluoro-4-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 207.11 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-fluoro-4-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 130079670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).