2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]benzoic acid

C13H10N2O5 — CID 24699302

IUPAC2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C13H10N2O5/c16-10-5-7(6-11(17)15-10)12(18)14-9-4-2-1-3-8(9)13(19)20/h1-6H,(H,14,18)(H,19,20)(H2,15,16,17)
InChIKeyJWMONMLVWGUVLA-UHFFFAOYSA-N
MW274.23 g/mol
LogP1.03
Rot. Bonds3

About 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]benzoic acid

2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]benzoic acid (PubChem CID 24699302) has the molecular formula C13H10N2O5 and a molecular weight of 274.23 g/mol. Its IUPAC name is 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]benzoic acid
PubChem CID24699302
Molecular FormulaC13H10N2O5
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Name2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C13H10N2O5/c16-10-5-7(6-11(17)15-10)12(18)14-9-4-2-1-3-8(9)13(19)20/h1-6H,(H,14,18)(H,19,20)(H2,15,16,17)
InChIKeyJWMONMLVWGUVLA-UHFFFAOYSA-N
XLogP1.03
TPSA119.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 51.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]benzoic acid?
The IUPAC name of 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]benzoic acid (CID 24699302) is 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]benzoic acid is O=C(Nc1ccccc1C(=O)O)c1cc(O)[nH]c(=O)c1.
What is the InChIKey of 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]benzoic acid?
The InChIKey is JWMONMLVWGUVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O5/c16-10-5-7(6-11(17)15-10)12(18)14-9-4-2-1-3-8(9)13(19)20/h1-6H,(H,14,18)(H,19,20)(H2,15,16,17).
What are the key properties of 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]benzoic acid?
2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]benzoic acid has a molecular weight of 274.23 g/mol, XLogP of 1.03, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 24699302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).