2-phenyl-2-pyridin-2-ylacetic acid

C13H11NO2 — CID 18549700

IUPAC2-phenyl-2-pyridin-2-ylacetic acid
SMILESO=C(O)C(c1ccccc1)c1ccccn1
InChIInChI=1S/C13H11NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-9,12H,(H,15,16)
InChIKeyWKNKYEOXIFPICR-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.30
Rot. Bonds3

About 2-phenyl-2-pyridin-2-ylacetic acid

2-phenyl-2-pyridin-2-ylacetic acid (PubChem CID 18549700) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-phenyl-2-pyridin-2-ylacetic acid.

Molecular Properties

Compound Name2-phenyl-2-pyridin-2-ylacetic acid
PubChem CID18549700
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name2-phenyl-2-pyridin-2-ylacetic acid
SMILESO=C(O)C(c1ccccc1)c1ccccn1
InChIInChI=1S/C13H11NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-9,12H,(H,15,16)
InChIKeyWKNKYEOXIFPICR-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-pyridin-2-ylacetic acid?
The IUPAC name of 2-phenyl-2-pyridin-2-ylacetic acid (CID 18549700) is 2-phenyl-2-pyridin-2-ylacetic acid.
What is the SMILES notation for 2-phenyl-2-pyridin-2-ylacetic acid?
The canonical SMILES for 2-phenyl-2-pyridin-2-ylacetic acid is O=C(O)C(c1ccccc1)c1ccccn1.
What is the InChIKey of 2-phenyl-2-pyridin-2-ylacetic acid?
The InChIKey is WKNKYEOXIFPICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-9,12H,(H,15,16).
What are the key properties of 2-phenyl-2-pyridin-2-ylacetic acid?
2-phenyl-2-pyridin-2-ylacetic acid has a molecular weight of 213.24 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-pyridin-2-ylacetic acid is sourced from PubChem (CID 18549700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).