2-(3-fluorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid

C12H8FNO3 — CID 82390158

IUPAC2-(3-fluorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)[nH]c1-c1cccc(F)c1
InChIInChI=1S/C12H8FNO3/c13-8-3-1-2-7(6-8)11-9(12(16)17)4-5-10(15)14-11/h1-6H,(H,14,15)(H,16,17)
InChIKeyXZFYXXWTIHLHNY-UHFFFAOYSA-N
MW233.20 g/mol
LogP1.88
Rot. Bonds2

About 2-(3-fluorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid

2-(3-fluorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 82390158) has the molecular formula C12H8FNO3 and a molecular weight of 233.20 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-fluorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid
PubChem CID82390158
Molecular FormulaC12H8FNO3
Molecular Weight233.20 g/mol
Exact Mass233.05
IUPAC Name2-(3-fluorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)[nH]c1-c1cccc(F)c1
InChIInChI=1S/C12H8FNO3/c13-8-3-1-2-7(6-8)11-9(12(16)17)4-5-10(15)14-11/h1-6H,(H,14,15)(H,16,17)
InChIKeyXZFYXXWTIHLHNY-UHFFFAOYSA-N
XLogP1.88
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 6229408
2-Hydroxy-6-(4-methylphenyl)pyridine-3-carboxylic acid
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2-Hydroxy-6-phenylpyridine-4-carboxylic acid
CID 18422120
6-(3-Methylphenyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 29996948
methyl (Z)-3-acetamido-3-(4-fluorophenyl)prop-2-enoate
CID 11390740
methyl (E)-3-acetamido-3-(4-fluorophenyl)prop-2-enoate
CID 21052132
2(1H)-Pyridone, 4-hydroxy-6-phenyl-
CID 54713550
(E)-3-(4-Fluoro-benzylcarbamoyl)-acrylic acid
CID 711811
2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3,5-dicarboxylic acid
CID 4674348
2-oxo-6-[4-(trifluoromethyl)phenyl]-1H-pyridine-3,5-dicarboxylic acid
CID 4674349

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-fluorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid (CID 82390158) is 2-(3-fluorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-fluorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-fluorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid is O=C(O)c1ccc(=O)[nH]c1-c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is XZFYXXWTIHLHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO3/c13-8-3-1-2-7(6-8)11-9(12(16)17)4-5-10(15)14-11/h1-6H,(H,14,15)(H,16,17).
What are the key properties of 2-(3-fluorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid?
2-(3-fluorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 233.20 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 82390158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).