2-(5-chloro-3-fluoro-2-pyridinyl)-3-(2-methoxyphenyl)propanoic acid

C15H13ClFNO3 — CID 104572872

IUPAC2-(5-chloro-3-fluoro-2-pyridinyl)-3-(2-methoxyphenyl)propanoic acid
SMILESCOc1ccccc1CC(C(=O)O)c1ncc(Cl)cc1F
InChIInChI=1S/C15H13ClFNO3/c1-21-13-5-3-2-4-9(13)6-11(15(19)20)14-12(17)7-10(16)8-18-14/h2-5,7-8,11H,6H2,1H3,(H,19,20)
InChIKeyBBDCJAXAFSDDFH-UHFFFAOYSA-N
MW309.72 g/mol
LogP3.29
Rot. Bonds5

About 2-(5-chloro-3-fluoro-2-pyridinyl)-3-(2-methoxyphenyl)propanoic acid

2-(5-chloro-3-fluoro-2-pyridinyl)-3-(2-methoxyphenyl)propanoic acid (PubChem CID 104572872) has the molecular formula C15H13ClFNO3 and a molecular weight of 309.72 g/mol. Its IUPAC name is 2-(5-chloro-3-fluoro-2-pyridinyl)-3-(2-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(5-chloro-3-fluoro-2-pyridinyl)-3-(2-methoxyphenyl)propanoic acid
PubChem CID104572872
Molecular FormulaC15H13ClFNO3
Molecular Weight309.72 g/mol
Exact Mass309.06
IUPAC Name2-(5-chloro-3-fluoro-2-pyridinyl)-3-(2-methoxyphenyl)propanoic acid
SMILESCOc1ccccc1CC(C(=O)O)c1ncc(Cl)cc1F
InChIInChI=1S/C15H13ClFNO3/c1-21-13-5-3-2-4-9(13)6-11(15(19)20)14-12(17)7-10(16)8-18-14/h2-5,7-8,11H,6H2,1H3,(H,19,20)
InChIKeyBBDCJAXAFSDDFH-UHFFFAOYSA-N
XLogP3.29
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-chloro-3-fluoro-2-pyridinyl)-3-(2-methoxyphenyl)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-(5-chloropyrimidin-2-yl)-3-(2-methoxyphenyl)propanoic acid
CID 104572864
2-(4-chlorophenoxy)-3-(2-methoxyphenyl)propanoic acid
CID 133240973
1-(4-chloro-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 114854536
2-(1-ethylimidazol-2-yl)-3-(2-methoxyphenyl)propanoic acid
CID 104572875
2-(3-methoxy-2-pyridinyl)-3-(2-methylphenyl)propanoic acid
CID 104572925
2-(3-hydroxyphenyl)-3-(2-methoxyphenyl)propanoic acid
CID 83951203
3-(2-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid
CID 104572490
2-(4-aminophenyl)-3-(2-methoxyphenyl)propanoic acid
CID 82026703
1-(5-chloro-2-fluorophenyl)-2-(2-methoxyphenyl)ethanol
CID 55151769
3-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)propanoic acid
CID 84752972
2-(3-ethoxy-2-pyridinyl)-3-(2-fluorophenyl)propanoic acid
CID 104573247
3-(2-methoxyphenyl)-2-(2,3,4-trimethoxyphenyl)propanoic acid
CID 112720015

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-fluoro-2-pyridinyl)-3-(2-methoxyphenyl)propanoic acid?
The IUPAC name of 2-(5-chloro-3-fluoro-2-pyridinyl)-3-(2-methoxyphenyl)propanoic acid (CID 104572872) is 2-(5-chloro-3-fluoro-2-pyridinyl)-3-(2-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(5-chloro-3-fluoro-2-pyridinyl)-3-(2-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-(5-chloro-3-fluoro-2-pyridinyl)-3-(2-methoxyphenyl)propanoic acid is COc1ccccc1CC(C(=O)O)c1ncc(Cl)cc1F.
What is the InChIKey of 2-(5-chloro-3-fluoro-2-pyridinyl)-3-(2-methoxyphenyl)propanoic acid?
The InChIKey is BBDCJAXAFSDDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO3/c1-21-13-5-3-2-4-9(13)6-11(15(19)20)14-12(17)7-10(16)8-18-14/h2-5,7-8,11H,6H2,1H3,(H,19,20).
What are the key properties of 2-(5-chloro-3-fluoro-2-pyridinyl)-3-(2-methoxyphenyl)propanoic acid?
2-(5-chloro-3-fluoro-2-pyridinyl)-3-(2-methoxyphenyl)propanoic acid has a molecular weight of 309.72 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-fluoro-2-pyridinyl)-3-(2-methoxyphenyl)propanoic acid is sourced from PubChem (CID 104572872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).