3-phenyl-2-pyridin-3-ylpropanoic acid

C14H13NO2 — CID 139776894

IUPAC3-phenyl-2-pyridin-3-ylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)c1cccnc1
InChIInChI=1S/C14H13NO2/c16-14(17)13(12-7-4-8-15-10-12)9-11-5-2-1-3-6-11/h1-8,10,13H,9H2,(H,16,17)
InChIKeyMWFVJLMAJFGUJA-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.49
Rot. Bonds4

About 3-phenyl-2-pyridin-3-ylpropanoic acid

3-phenyl-2-pyridin-3-ylpropanoic acid (PubChem CID 139776894) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 3-phenyl-2-pyridin-3-ylpropanoic acid.

Molecular Properties

Compound Name3-phenyl-2-pyridin-3-ylpropanoic acid
PubChem CID139776894
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name3-phenyl-2-pyridin-3-ylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)c1cccnc1
InChIInChI=1S/C14H13NO2/c16-14(17)13(12-7-4-8-15-10-12)9-11-5-2-1-3-6-11/h1-8,10,13H,9H2,(H,16,17)
InChIKeyMWFVJLMAJFGUJA-UHFFFAOYSA-N
XLogP2.49
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-pyridin-3-ylpropanoic acid?
The IUPAC name of 3-phenyl-2-pyridin-3-ylpropanoic acid (CID 139776894) is 3-phenyl-2-pyridin-3-ylpropanoic acid.
What is the SMILES notation for 3-phenyl-2-pyridin-3-ylpropanoic acid?
The canonical SMILES for 3-phenyl-2-pyridin-3-ylpropanoic acid is O=C(O)C(Cc1ccccc1)c1cccnc1.
What is the InChIKey of 3-phenyl-2-pyridin-3-ylpropanoic acid?
The InChIKey is MWFVJLMAJFGUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c16-14(17)13(12-7-4-8-15-10-12)9-11-5-2-1-3-6-11/h1-8,10,13H,9H2,(H,16,17).
What are the key properties of 3-phenyl-2-pyridin-3-ylpropanoic acid?
3-phenyl-2-pyridin-3-ylpropanoic acid has a molecular weight of 227.26 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-pyridin-3-ylpropanoic acid is sourced from PubChem (CID 139776894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).