2-pyridin-3-ylbenzoic acid

C12H9NO2 — CID 2760505

IUPAC2-pyridin-3-ylbenzoic acid
SMILESO=C(O)c1ccccc1-c1cccnc1
InChIInChI=1S/C12H9NO2/c14-12(15)11-6-2-1-5-10(11)9-4-3-7-13-8-9/h1-8H,(H,14,15)
InChIKeyDRGNPLUCFXKUAL-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.45
Rot. Bonds2

About 2-pyridin-3-ylbenzoic acid

2-pyridin-3-ylbenzoic acid (PubChem CID 2760505) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-pyridin-3-ylbenzoic acid.

Molecular Properties

Compound Name2-pyridin-3-ylbenzoic acid
PubChem CID2760505
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name2-pyridin-3-ylbenzoic acid
SMILESO=C(O)c1ccccc1-c1cccnc1
InChIInChI=1S/C12H9NO2/c14-12(15)11-6-2-1-5-10(11)9-4-3-7-13-8-9/h1-8H,(H,14,15)
InChIKeyDRGNPLUCFXKUAL-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 2-pyridin-3-ylbenzoic acid?
The IUPAC name of 2-pyridin-3-ylbenzoic acid (CID 2760505) is 2-pyridin-3-ylbenzoic acid.
What is the SMILES notation for 2-pyridin-3-ylbenzoic acid?
The canonical SMILES for 2-pyridin-3-ylbenzoic acid is O=C(O)c1ccccc1-c1cccnc1.
What is the InChIKey of 2-pyridin-3-ylbenzoic acid?
The InChIKey is DRGNPLUCFXKUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c14-12(15)11-6-2-1-5-10(11)9-4-3-7-13-8-9/h1-8H,(H,14,15).
What are the key properties of 2-pyridin-3-ylbenzoic acid?
2-pyridin-3-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 2-pyridin-3-ylbenzoic acid is sourced from PubChem (CID 2760505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).