2-(3-fluoro-4-pyridin-3-ylphenyl)propanoic acid

C14H12FNO2 — CID 151301627

IUPAC2-(3-fluoro-4-pyridin-3-ylphenyl)propanoic acid
SMILESCC(C(=O)O)c1ccc(-c2cccnc2)c(F)c1
InChIInChI=1S/C14H12FNO2/c1-9(14(17)18)10-4-5-12(13(15)7-10)11-3-2-6-16-8-11/h2-9H,1H3,(H,17,18)
InChIKeyOCNRXTVGEHZESX-UHFFFAOYSA-N
MW245.25 g/mol
LogP3.08
Rot. Bonds3

About 2-(3-fluoro-4-pyridin-3-ylphenyl)propanoic acid

2-(3-fluoro-4-pyridin-3-ylphenyl)propanoic acid (PubChem CID 151301627) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is 2-(3-fluoro-4-pyridin-3-ylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-fluoro-4-pyridin-3-ylphenyl)propanoic acid
PubChem CID151301627
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name2-(3-fluoro-4-pyridin-3-ylphenyl)propanoic acid
SMILESCC(C(=O)O)c1ccc(-c2cccnc2)c(F)c1
InChIInChI=1S/C14H12FNO2/c1-9(14(17)18)10-4-5-12(13(15)7-10)11-3-2-6-16-8-11/h2-9H,1H3,(H,17,18)
InChIKeyOCNRXTVGEHZESX-UHFFFAOYSA-N
XLogP3.08
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-pyridin-3-ylphenyl)propanoic acid?
The IUPAC name of 2-(3-fluoro-4-pyridin-3-ylphenyl)propanoic acid (CID 151301627) is 2-(3-fluoro-4-pyridin-3-ylphenyl)propanoic acid.
What is the SMILES notation for 2-(3-fluoro-4-pyridin-3-ylphenyl)propanoic acid?
The canonical SMILES for 2-(3-fluoro-4-pyridin-3-ylphenyl)propanoic acid is CC(C(=O)O)c1ccc(-c2cccnc2)c(F)c1.
What is the InChIKey of 2-(3-fluoro-4-pyridin-3-ylphenyl)propanoic acid?
The InChIKey is OCNRXTVGEHZESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c1-9(14(17)18)10-4-5-12(13(15)7-10)11-3-2-6-16-8-11/h2-9H,1H3,(H,17,18).
What are the key properties of 2-(3-fluoro-4-pyridin-3-ylphenyl)propanoic acid?
2-(3-fluoro-4-pyridin-3-ylphenyl)propanoic acid has a molecular weight of 245.25 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-pyridin-3-ylphenyl)propanoic acid is sourced from PubChem (CID 151301627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).