4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid

C12H10FNO3 — CID 68604217

IUPAC4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid
SMILESO=C1CC(c2cccc(F)c2)C(C(=O)O)=CN1
InChIInChI=1S/C12H10FNO3/c13-8-3-1-2-7(4-8)9-5-11(15)14-6-10(9)12(16)17/h1-4,6,9H,5H2,(H,14,15)(H,16,17)
InChIKeyKTKZEJQZWCGGOO-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.40
Rot. Bonds2

About 4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid

4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid (PubChem CID 68604217) has the molecular formula C12H10FNO3 and a molecular weight of 235.21 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid
PubChem CID68604217
Molecular FormulaC12H10FNO3
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Name4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid
SMILESO=C1CC(c2cccc(F)c2)C(C(=O)O)=CN1
InChIInChI=1S/C12H10FNO3/c13-8-3-1-2-7(4-8)9-5-11(15)14-6-10(9)12(16)17/h1-4,6,9H,5H2,(H,14,15)(H,16,17)
InChIKeyKTKZEJQZWCGGOO-UHFFFAOYSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid?
The IUPAC name of 4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid (CID 68604217) is 4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid.
What is the SMILES notation for 4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid?
The canonical SMILES for 4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid is O=C1CC(c2cccc(F)c2)C(C(=O)O)=CN1.
What is the InChIKey of 4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid?
The InChIKey is KTKZEJQZWCGGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3/c13-8-3-1-2-7(4-8)9-5-11(15)14-6-10(9)12(16)17/h1-4,6,9H,5H2,(H,14,15)(H,16,17).
What are the key properties of 4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid?
4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid has a molecular weight of 235.21 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid is sourced from PubChem (CID 68604217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).