2-(2-fluorophenyl)-3-(5-fluoro-3-pyridinyl)propanoic acid

C14H11F2NO2 — CID 114084589

IUPAC2-(2-fluorophenyl)-3-(5-fluoro-3-pyridinyl)propanoic acid
SMILESO=C(O)C(Cc1cncc(F)c1)c1ccccc1F
InChIInChI=1S/C14H11F2NO2/c15-10-5-9(7-17-8-10)6-12(14(18)19)11-3-1-2-4-13(11)16/h1-5,7-8,12H,6H2,(H,18,19)
InChIKeyAPQCQOABOFANLB-UHFFFAOYSA-N
MW263.24 g/mol
LogP2.77
Rot. Bonds4

About 2-(2-fluorophenyl)-3-(5-fluoro-3-pyridinyl)propanoic acid

2-(2-fluorophenyl)-3-(5-fluoro-3-pyridinyl)propanoic acid (PubChem CID 114084589) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-(5-fluoro-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-(5-fluoro-3-pyridinyl)propanoic acid
PubChem CID114084589
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Name2-(2-fluorophenyl)-3-(5-fluoro-3-pyridinyl)propanoic acid
SMILESO=C(O)C(Cc1cncc(F)c1)c1ccccc1F
InChIInChI=1S/C14H11F2NO2/c15-10-5-9(7-17-8-10)6-12(14(18)19)11-3-1-2-4-13(11)16/h1-5,7-8,12H,6H2,(H,18,19)
InChIKeyAPQCQOABOFANLB-UHFFFAOYSA-N
XLogP2.77
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-(5-fluoro-3-pyridinyl)propanoic acid?
The IUPAC name of 2-(2-fluorophenyl)-3-(5-fluoro-3-pyridinyl)propanoic acid (CID 114084589) is 2-(2-fluorophenyl)-3-(5-fluoro-3-pyridinyl)propanoic acid.
What is the SMILES notation for 2-(2-fluorophenyl)-3-(5-fluoro-3-pyridinyl)propanoic acid?
The canonical SMILES for 2-(2-fluorophenyl)-3-(5-fluoro-3-pyridinyl)propanoic acid is O=C(O)C(Cc1cncc(F)c1)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-3-(5-fluoro-3-pyridinyl)propanoic acid?
The InChIKey is APQCQOABOFANLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO2/c15-10-5-9(7-17-8-10)6-12(14(18)19)11-3-1-2-4-13(11)16/h1-5,7-8,12H,6H2,(H,18,19).
What are the key properties of 2-(2-fluorophenyl)-3-(5-fluoro-3-pyridinyl)propanoic acid?
2-(2-fluorophenyl)-3-(5-fluoro-3-pyridinyl)propanoic acid has a molecular weight of 263.24 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3-(5-fluoro-3-pyridinyl)propanoic acid is sourced from PubChem (CID 114084589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).