2-(3-ethoxy-2-pyridinyl)-3-(2-fluorophenyl)propanoic acid

C16H16FNO3 — CID 104573247

IUPAC2-(3-ethoxy-2-pyridinyl)-3-(2-fluorophenyl)propanoic acid
SMILESCCOc1cccnc1C(Cc1ccccc1F)C(=O)O
InChIInChI=1S/C16H16FNO3/c1-2-21-14-8-5-9-18-15(14)12(16(19)20)10-11-6-3-4-7-13(11)17/h3-9,12H,2,10H2,1H3,(H,19,20)
InChIKeyOQHCCOJVHOXVCS-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.03
Rot. Bonds6

About 2-(3-ethoxy-2-pyridinyl)-3-(2-fluorophenyl)propanoic acid

2-(3-ethoxy-2-pyridinyl)-3-(2-fluorophenyl)propanoic acid (PubChem CID 104573247) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-(3-ethoxy-2-pyridinyl)-3-(2-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-ethoxy-2-pyridinyl)-3-(2-fluorophenyl)propanoic acid
PubChem CID104573247
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name2-(3-ethoxy-2-pyridinyl)-3-(2-fluorophenyl)propanoic acid
SMILESCCOc1cccnc1C(Cc1ccccc1F)C(=O)O
InChIInChI=1S/C16H16FNO3/c1-2-21-14-8-5-9-18-15(14)12(16(19)20)10-11-6-3-4-7-13(11)17/h3-9,12H,2,10H2,1H3,(H,19,20)
InChIKeyOQHCCOJVHOXVCS-UHFFFAOYSA-N
XLogP3.03
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-ethoxy-2-pyridinyl)-3-(2-fluorophenyl)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

Related Compounds

2-(3-methoxy-2-pyridinyl)-3-(2-methylphenyl)propanoic acid
CID 104572925
2-(4-ethoxy-3-methylphenyl)-3-(2-fluorophenyl)propanoic acid
CID 83950993
3-(2-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid
CID 104572490
2-(4-ethoxy-2-methylphenyl)-3-(2-fluorophenyl)propanoic acid
CID 83950996
(2-ethoxyphenyl)-(3-ethyl-2-pyridinyl)methanol
CID 82731006
2-(3-fluoro-2-pyridinyl)pentanoic acid
CID 104571993
3-(2-fluorophenyl)-2-(2-methoxy-4-pyridinyl)propanoic acid
CID 104573292
3-(2-fluorophenyl)-2-(5-iodo-6-oxo-1H-pyrimidin-4-yl)propanoic acid
CID 136972220
3-(2-chlorophenyl)-2-(3-chloro-2-pyridinyl)propanoic acid
CID 113428198
4-methyl-2-(3-propoxy-2-pyridinyl)pentanoic acid
CID 104571782
2-(5-chlorothiophen-2-yl)-3-(2-ethoxyphenyl)propanoic acid
CID 83955898
2-(5-chloro-3-fluoro-2-pyridinyl)-3-(2-methoxyphenyl)propanoic acid
CID 104572872

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-2-pyridinyl)-3-(2-fluorophenyl)propanoic acid?
The IUPAC name of 2-(3-ethoxy-2-pyridinyl)-3-(2-fluorophenyl)propanoic acid (CID 104573247) is 2-(3-ethoxy-2-pyridinyl)-3-(2-fluorophenyl)propanoic acid.
What is the SMILES notation for 2-(3-ethoxy-2-pyridinyl)-3-(2-fluorophenyl)propanoic acid?
The canonical SMILES for 2-(3-ethoxy-2-pyridinyl)-3-(2-fluorophenyl)propanoic acid is CCOc1cccnc1C(Cc1ccccc1F)C(=O)O.
What is the InChIKey of 2-(3-ethoxy-2-pyridinyl)-3-(2-fluorophenyl)propanoic acid?
The InChIKey is OQHCCOJVHOXVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-2-21-14-8-5-9-18-15(14)12(16(19)20)10-11-6-3-4-7-13(11)17/h3-9,12H,2,10H2,1H3,(H,19,20).
What are the key properties of 2-(3-ethoxy-2-pyridinyl)-3-(2-fluorophenyl)propanoic acid?
2-(3-ethoxy-2-pyridinyl)-3-(2-fluorophenyl)propanoic acid has a molecular weight of 289.31 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-2-pyridinyl)-3-(2-fluorophenyl)propanoic acid is sourced from PubChem (CID 104573247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).