4-(2-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid

C12H8FNO3 — CID 82082668

IUPAC4-(2-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2F)cc[nH]c1=O
InChIInChI=1S/C12H8FNO3/c13-9-4-2-1-3-7(9)8-5-6-14-11(15)10(8)12(16)17/h1-6H,(H,14,15)(H,16,17)
InChIKeyDRTWRZTWEKIRKO-UHFFFAOYSA-N
MW233.20 g/mol
LogP1.88
Rot. Bonds2

About 4-(2-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid

4-(2-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 82082668) has the molecular formula C12H8FNO3 and a molecular weight of 233.20 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID82082668
Molecular FormulaC12H8FNO3
Molecular Weight233.20 g/mol
Exact Mass233.05
IUPAC Name4-(2-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2F)cc[nH]c1=O
InChIInChI=1S/C12H8FNO3/c13-9-4-2-1-3-7(9)8-5-6-14-11(15)10(8)12(16)17/h1-6H,(H,14,15)(H,16,17)
InChIKeyDRTWRZTWEKIRKO-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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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 4-(2-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid (CID 82082668) is 4-(2-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(2-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 4-(2-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid is O=C(O)c1c(-c2ccccc2F)cc[nH]c1=O.
What is the InChIKey of 4-(2-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is DRTWRZTWEKIRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO3/c13-9-4-2-1-3-7(9)8-5-6-14-11(15)10(8)12(16)17/h1-6H,(H,14,15)(H,16,17).
What are the key properties of 4-(2-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
4-(2-fluorophenyl)-2-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 4-(2-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 82082668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).