2-hydroxy-4-(pyridin-2-ylmethylideneamino)benzoic acid

C13H10N2O3 — CID 15954138

IUPAC2-hydroxy-4-(pyridin-2-ylmethylideneamino)benzoic acid
SMILESO=C(O)c1ccc(/N=C/c2ccccn2)cc1O
InChIInChI=1S/C13H10N2O3/c16-12-7-9(4-5-11(12)13(17)18)15-8-10-3-1-2-6-14-10/h1-8,16H,(H,17,18)/b15-8+
InChIKeyWCYIJLALRJZLAR-OVCLIPMQSA-N
MW242.23 g/mol
LogP2.24
Rot. Bonds3

About 2-hydroxy-4-(pyridin-2-ylmethylideneamino)benzoic acid

2-hydroxy-4-(pyridin-2-ylmethylideneamino)benzoic acid (PubChem CID 15954138) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-hydroxy-4-(pyridin-2-ylmethylideneamino)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-(pyridin-2-ylmethylideneamino)benzoic acid
PubChem CID15954138
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name2-hydroxy-4-(pyridin-2-ylmethylideneamino)benzoic acid
SMILESO=C(O)c1ccc(/N=C/c2ccccn2)cc1O
InChIInChI=1S/C13H10N2O3/c16-12-7-9(4-5-11(12)13(17)18)15-8-10-3-1-2-6-14-10/h1-8,16H,(H,17,18)/b15-8+
InChIKeyWCYIJLALRJZLAR-OVCLIPMQSA-N
XLogP2.24
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-hydroxy-4-(pyridin-2-ylmethylideneamino)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(pyridin-2-ylmethylideneamino)benzoic acid?
The IUPAC name of 2-hydroxy-4-(pyridin-2-ylmethylideneamino)benzoic acid (CID 15954138) is 2-hydroxy-4-(pyridin-2-ylmethylideneamino)benzoic acid.
What is the SMILES notation for 2-hydroxy-4-(pyridin-2-ylmethylideneamino)benzoic acid?
The canonical SMILES for 2-hydroxy-4-(pyridin-2-ylmethylideneamino)benzoic acid is O=C(O)c1ccc(/N=C/c2ccccn2)cc1O.
What is the InChIKey of 2-hydroxy-4-(pyridin-2-ylmethylideneamino)benzoic acid?
The InChIKey is WCYIJLALRJZLAR-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H10N2O3/c16-12-7-9(4-5-11(12)13(17)18)15-8-10-3-1-2-6-14-10/h1-8,16H,(H,17,18)/b15-8+.
What are the key properties of 2-hydroxy-4-(pyridin-2-ylmethylideneamino)benzoic acid?
2-hydroxy-4-(pyridin-2-ylmethylideneamino)benzoic acid has a molecular weight of 242.23 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(pyridin-2-ylmethylideneamino)benzoic acid is sourced from PubChem (CID 15954138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).