5-benzamidopyridine-2-carboxylic acid

C13H10N2O3 — CID 12640225

IUPAC5-benzamidopyridine-2-carboxylic acid
SMILESO=C(Nc1ccc(C(=O)O)nc1)c1ccccc1
InChIInChI=1S/C13H10N2O3/c16-12(9-4-2-1-3-5-9)15-10-6-7-11(13(17)18)14-8-10/h1-8H,(H,15,16)(H,17,18)
InChIKeyAUERTVOXUKIHOV-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.03
Rot. Bonds3

About 5-benzamidopyridine-2-carboxylic acid

5-benzamidopyridine-2-carboxylic acid (PubChem CID 12640225) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 5-benzamidopyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-benzamidopyridine-2-carboxylic acid
PubChem CID12640225
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name5-benzamidopyridine-2-carboxylic acid
SMILESO=C(Nc1ccc(C(=O)O)nc1)c1ccccc1
InChIInChI=1S/C13H10N2O3/c16-12(9-4-2-1-3-5-9)15-10-6-7-11(13(17)18)14-8-10/h1-8H,(H,15,16)(H,17,18)
InChIKeyAUERTVOXUKIHOV-UHFFFAOYSA-N
XLogP2.03
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzamidopyridine-2-carboxylic acid?
The IUPAC name of 5-benzamidopyridine-2-carboxylic acid (CID 12640225) is 5-benzamidopyridine-2-carboxylic acid.
What is the SMILES notation for 5-benzamidopyridine-2-carboxylic acid?
The canonical SMILES for 5-benzamidopyridine-2-carboxylic acid is O=C(Nc1ccc(C(=O)O)nc1)c1ccccc1.
What is the InChIKey of 5-benzamidopyridine-2-carboxylic acid?
The InChIKey is AUERTVOXUKIHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c16-12(9-4-2-1-3-5-9)15-10-6-7-11(13(17)18)14-8-10/h1-8H,(H,15,16)(H,17,18).
What are the key properties of 5-benzamidopyridine-2-carboxylic acid?
5-benzamidopyridine-2-carboxylic acid has a molecular weight of 242.23 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzamidopyridine-2-carboxylic acid is sourced from PubChem (CID 12640225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).