4-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridine-3-carboxylic acid

C7H4F3NO3 — CID 118835194

IUPAC4-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c(C(F)F)cc(=O)[nH]c1F
InChIInChI=1S/C7H4F3NO3/c8-5(9)2-1-3(12)11-6(10)4(2)7(13)14/h1,5H,(H,11,12)(H,13,14)
InChIKeyGGFQNPCOYWHJAL-UHFFFAOYSA-N
MW207.11 g/mol
LogP1.15
Rot. Bonds2

About 4-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridine-3-carboxylic acid

4-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 118835194) has the molecular formula C7H4F3NO3 and a molecular weight of 207.11 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridine-3-carboxylic acid
PubChem CID118835194
Molecular FormulaC7H4F3NO3
Molecular Weight207.11 g/mol
Exact Mass207.01
IUPAC Name4-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c(C(F)F)cc(=O)[nH]c1F
InChIInChI=1S/C7H4F3NO3/c8-5(9)2-1-3(12)11-6(10)4(2)7(13)14/h1,5H,(H,11,12)(H,13,14)
InChIKeyGGFQNPCOYWHJAL-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridine-3-carboxylic acid (CID 118835194) is 4-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridine-3-carboxylic acid is O=C(O)c1c(C(F)F)cc(=O)[nH]c1F.
What is the InChIKey of 4-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is GGFQNPCOYWHJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO3/c8-5(9)2-1-3(12)11-6(10)4(2)7(13)14/h1,5H,(H,11,12)(H,13,14).
What are the key properties of 4-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridine-3-carboxylic acid?
4-(difluoromethyl)-2-fluoro-6-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 4-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 118835194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).