2-(5-phenyl-2-pyridinyl)acetic acid

C13H11NO2 — CID 46315099

IUPAC2-(5-phenyl-2-pyridinyl)acetic acid
SMILESO=C(O)Cc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C13H11NO2/c15-13(16)8-12-7-6-11(9-14-12)10-4-2-1-3-5-10/h1-7,9H,8H2,(H,15,16)
InChIKeyGJUCYUUYZYZDBM-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.38
Rot. Bonds3

About 2-(5-phenyl-2-pyridinyl)acetic acid

2-(5-phenyl-2-pyridinyl)acetic acid (PubChem CID 46315099) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-(5-phenyl-2-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(5-phenyl-2-pyridinyl)acetic acid
PubChem CID46315099
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name2-(5-phenyl-2-pyridinyl)acetic acid
SMILESO=C(O)Cc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C13H11NO2/c15-13(16)8-12-7-6-11(9-14-12)10-4-2-1-3-5-10/h1-7,9H,8H2,(H,15,16)
InChIKeyGJUCYUUYZYZDBM-UHFFFAOYSA-N
XLogP2.38
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyl-2-pyridinyl)acetic acid?
The IUPAC name of 2-(5-phenyl-2-pyridinyl)acetic acid (CID 46315099) is 2-(5-phenyl-2-pyridinyl)acetic acid.
What is the SMILES notation for 2-(5-phenyl-2-pyridinyl)acetic acid?
The canonical SMILES for 2-(5-phenyl-2-pyridinyl)acetic acid is O=C(O)Cc1ccc(-c2ccccc2)cn1.
What is the InChIKey of 2-(5-phenyl-2-pyridinyl)acetic acid?
The InChIKey is GJUCYUUYZYZDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c15-13(16)8-12-7-6-11(9-14-12)10-4-2-1-3-5-10/h1-7,9H,8H2,(H,15,16).
What are the key properties of 2-(5-phenyl-2-pyridinyl)acetic acid?
2-(5-phenyl-2-pyridinyl)acetic acid has a molecular weight of 213.24 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyl-2-pyridinyl)acetic acid is sourced from PubChem (CID 46315099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).