2-pyridin-2-yl-3-pyridin-3-ylbenzoic acid

C17H12N2O2 — CID 68921390

IUPAC2-pyridin-2-yl-3-pyridin-3-ylbenzoic acid
SMILESO=C(O)c1cccc(-c2cccnc2)c1-c1ccccn1
InChIInChI=1S/C17H12N2O2/c20-17(21)14-7-3-6-13(12-5-4-9-18-11-12)16(14)15-8-1-2-10-19-15/h1-11H,(H,20,21)
InChIKeyKPQZZUMNTCQFTP-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.51
Rot. Bonds3

About 2-pyridin-2-yl-3-pyridin-3-ylbenzoic acid

2-pyridin-2-yl-3-pyridin-3-ylbenzoic acid (PubChem CID 68921390) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-pyridin-2-yl-3-pyridin-3-ylbenzoic acid.

Molecular Properties

Compound Name2-pyridin-2-yl-3-pyridin-3-ylbenzoic acid
PubChem CID68921390
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name2-pyridin-2-yl-3-pyridin-3-ylbenzoic acid
SMILESO=C(O)c1cccc(-c2cccnc2)c1-c1ccccn1
InChIInChI=1S/C17H12N2O2/c20-17(21)14-7-3-6-13(12-5-4-9-18-11-12)16(14)15-8-1-2-10-19-15/h1-11H,(H,20,21)
InChIKeyKPQZZUMNTCQFTP-UHFFFAOYSA-N
XLogP3.51
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-3-pyridin-3-ylbenzoic acid?
The IUPAC name of 2-pyridin-2-yl-3-pyridin-3-ylbenzoic acid (CID 68921390) is 2-pyridin-2-yl-3-pyridin-3-ylbenzoic acid.
What is the SMILES notation for 2-pyridin-2-yl-3-pyridin-3-ylbenzoic acid?
The canonical SMILES for 2-pyridin-2-yl-3-pyridin-3-ylbenzoic acid is O=C(O)c1cccc(-c2cccnc2)c1-c1ccccn1.
What is the InChIKey of 2-pyridin-2-yl-3-pyridin-3-ylbenzoic acid?
The InChIKey is KPQZZUMNTCQFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c20-17(21)14-7-3-6-13(12-5-4-9-18-11-12)16(14)15-8-1-2-10-19-15/h1-11H,(H,20,21).
What are the key properties of 2-pyridin-2-yl-3-pyridin-3-ylbenzoic acid?
2-pyridin-2-yl-3-pyridin-3-ylbenzoic acid has a molecular weight of 276.30 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-3-pyridin-3-ylbenzoic acid is sourced from PubChem (CID 68921390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).