2-[3-(1-fluoroethyl)-6-oxo-1H-pyridin-2-yl]propanoic acid

C10H12FNO3 — CID 18439511

IUPAC2-[3-(1-fluoroethyl)-6-oxo-1H-pyridin-2-yl]propanoic acid
SMILESCC(F)c1ccc(=O)[nH]c1C(C)C(=O)O
InChIInChI=1S/C10H12FNO3/c1-5(10(14)15)9-7(6(2)11)3-4-8(13)12-9/h3-6H,1-2H3,(H,12,13)(H,14,15)
InChIKeyMGPVSDPREJOAQV-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.59
Rot. Bonds3

About 2-[3-(1-fluoroethyl)-6-oxo-1H-pyridin-2-yl]propanoic acid

2-[3-(1-fluoroethyl)-6-oxo-1H-pyridin-2-yl]propanoic acid (PubChem CID 18439511) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is 2-[3-(1-fluoroethyl)-6-oxo-1H-pyridin-2-yl]propanoic acid.

Molecular Properties

Compound Name2-[3-(1-fluoroethyl)-6-oxo-1H-pyridin-2-yl]propanoic acid
PubChem CID18439511
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Name2-[3-(1-fluoroethyl)-6-oxo-1H-pyridin-2-yl]propanoic acid
SMILESCC(F)c1ccc(=O)[nH]c1C(C)C(=O)O
InChIInChI=1S/C10H12FNO3/c1-5(10(14)15)9-7(6(2)11)3-4-8(13)12-9/h3-6H,1-2H3,(H,12,13)(H,14,15)
InChIKeyMGPVSDPREJOAQV-UHFFFAOYSA-N
XLogP1.59
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[3-(1-fluoroethyl)-6-oxo-1H-pyridin-2-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-fluoroethyl)-6-oxo-1H-pyridin-2-yl]propanoic acid?
The IUPAC name of 2-[3-(1-fluoroethyl)-6-oxo-1H-pyridin-2-yl]propanoic acid (CID 18439511) is 2-[3-(1-fluoroethyl)-6-oxo-1H-pyridin-2-yl]propanoic acid.
What is the SMILES notation for 2-[3-(1-fluoroethyl)-6-oxo-1H-pyridin-2-yl]propanoic acid?
The canonical SMILES for 2-[3-(1-fluoroethyl)-6-oxo-1H-pyridin-2-yl]propanoic acid is CC(F)c1ccc(=O)[nH]c1C(C)C(=O)O.
What is the InChIKey of 2-[3-(1-fluoroethyl)-6-oxo-1H-pyridin-2-yl]propanoic acid?
The InChIKey is MGPVSDPREJOAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-5(10(14)15)9-7(6(2)11)3-4-8(13)12-9/h3-6H,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-[3-(1-fluoroethyl)-6-oxo-1H-pyridin-2-yl]propanoic acid?
2-[3-(1-fluoroethyl)-6-oxo-1H-pyridin-2-yl]propanoic acid has a molecular weight of 213.21 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-fluoroethyl)-6-oxo-1H-pyridin-2-yl]propanoic acid is sourced from PubChem (CID 18439511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).