4-pyridin-2-ylbenzoic acid

C12H9NO2 — CID 821692

IUPAC4-pyridin-2-ylbenzoic acid
SMILESO=C(O)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C12H9NO2/c14-12(15)10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-8H,(H,14,15)
InChIKeyAQIPNZHMXANQRC-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.45
Rot. Bonds2

About 4-pyridin-2-ylbenzoic acid

4-pyridin-2-ylbenzoic acid (PubChem CID 821692) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 4-pyridin-2-ylbenzoic acid.

Molecular Properties

Compound Name4-pyridin-2-ylbenzoic acid
PubChem CID821692
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name4-pyridin-2-ylbenzoic acid
SMILESO=C(O)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C12H9NO2/c14-12(15)10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-8H,(H,14,15)
InChIKeyAQIPNZHMXANQRC-UHFFFAOYSA-N
XLogP2.45
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-ylbenzoic acid?
The IUPAC name of 4-pyridin-2-ylbenzoic acid (CID 821692) is 4-pyridin-2-ylbenzoic acid.
What is the SMILES notation for 4-pyridin-2-ylbenzoic acid?
The canonical SMILES for 4-pyridin-2-ylbenzoic acid is O=C(O)c1ccc(-c2ccccn2)cc1.
What is the InChIKey of 4-pyridin-2-ylbenzoic acid?
The InChIKey is AQIPNZHMXANQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c14-12(15)10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-8H,(H,14,15).
What are the key properties of 4-pyridin-2-ylbenzoic acid?
4-pyridin-2-ylbenzoic acid has a molecular weight of 199.21 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-ylbenzoic acid is sourced from PubChem (CID 821692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).