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

C12H10FNO3 — CID 45378709

IUPAC(4S)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid
SMILESO=C1C[C@@H](c2ccc(F)cc2)C(C(=O)O)=CN1
InChIInChI=1S/C12H10FNO3/c13-8-3-1-7(2-4-8)9-5-11(15)14-6-10(9)12(16)17/h1-4,6,9H,5H2,(H,14,15)(H,16,17)/t9-/m0/s1
InChIKeyKQBPOIFCORSMKH-VIFPVBQESA-N
MW235.21 g/mol
LogP1.40
Rot. Bonds2

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

(4S)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid (PubChem CID 45378709) has the molecular formula C12H10FNO3 and a molecular weight of 235.21 g/mol. Its IUPAC name is (4S)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid.

Molecular Properties

Compound Name(4S)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid
PubChem CID45378709
Molecular FormulaC12H10FNO3
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Name(4S)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid
SMILESO=C1C[C@@H](c2ccc(F)cc2)C(C(=O)O)=CN1
InChIInChI=1S/C12H10FNO3/c13-8-3-1-7(2-4-8)9-5-11(15)14-6-10(9)12(16)17/h1-4,6,9H,5H2,(H,14,15)(H,16,17)/t9-/m0/s1
InChIKeyKQBPOIFCORSMKH-VIFPVBQESA-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 (4S)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid?
The IUPAC name of (4S)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid (CID 45378709) is (4S)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid.
What is the SMILES notation for (4S)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid?
The canonical SMILES for (4S)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid is O=C1C[C@@H](c2ccc(F)cc2)C(C(=O)O)=CN1.
What is the InChIKey of (4S)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid?
The InChIKey is KQBPOIFCORSMKH-VIFPVBQESA-N. The full InChI is InChI=1S/C12H10FNO3/c13-8-3-1-7(2-4-8)9-5-11(15)14-6-10(9)12(16)17/h1-4,6,9H,5H2,(H,14,15)(H,16,17)/t9-/m0/s1.
What are the key properties of (4S)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid?
(4S)-4-(4-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 (4S)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid is sourced from PubChem (CID 45378709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).