3-[3-(5-fluoro-2-pyridinyl)phenyl]propanoic acid

C14H12FNO2 — CID 166387567

IUPAC3-[3-(5-fluoro-2-pyridinyl)phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(-c2ccc(F)cn2)c1
InChIInChI=1S/C14H12FNO2/c15-12-5-6-13(16-9-12)11-3-1-2-10(8-11)4-7-14(17)18/h1-3,5-6,8-9H,4,7H2,(H,17,18)
InChIKeyIXCIPJJGOWQJEB-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.90
Rot. Bonds4

About 3-[3-(5-fluoro-2-pyridinyl)phenyl]propanoic acid

3-[3-(5-fluoro-2-pyridinyl)phenyl]propanoic acid (PubChem CID 166387567) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is 3-[3-(5-fluoro-2-pyridinyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-(5-fluoro-2-pyridinyl)phenyl]propanoic acid
PubChem CID166387567
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name3-[3-(5-fluoro-2-pyridinyl)phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(-c2ccc(F)cn2)c1
InChIInChI=1S/C14H12FNO2/c15-12-5-6-13(16-9-12)11-3-1-2-10(8-11)4-7-14(17)18/h1-3,5-6,8-9H,4,7H2,(H,17,18)
InChIKeyIXCIPJJGOWQJEB-UHFFFAOYSA-N
XLogP2.90
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-fluoro-2-pyridinyl)phenyl]propanoic acid?
The IUPAC name of 3-[3-(5-fluoro-2-pyridinyl)phenyl]propanoic acid (CID 166387567) is 3-[3-(5-fluoro-2-pyridinyl)phenyl]propanoic acid.
What is the SMILES notation for 3-[3-(5-fluoro-2-pyridinyl)phenyl]propanoic acid?
The canonical SMILES for 3-[3-(5-fluoro-2-pyridinyl)phenyl]propanoic acid is O=C(O)CCc1cccc(-c2ccc(F)cn2)c1.
What is the InChIKey of 3-[3-(5-fluoro-2-pyridinyl)phenyl]propanoic acid?
The InChIKey is IXCIPJJGOWQJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c15-12-5-6-13(16-9-12)11-3-1-2-10(8-11)4-7-14(17)18/h1-3,5-6,8-9H,4,7H2,(H,17,18).
What are the key properties of 3-[3-(5-fluoro-2-pyridinyl)phenyl]propanoic acid?
3-[3-(5-fluoro-2-pyridinyl)phenyl]propanoic acid has a molecular weight of 245.25 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-fluoro-2-pyridinyl)phenyl]propanoic acid is sourced from PubChem (CID 166387567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).