5-(4-aminophenyl)pyridine-2-carboxylic acid

C12H10N2O2 — CID 66634496

IUPAC5-(4-aminophenyl)pyridine-2-carboxylic acid
SMILESNc1ccc(-c2ccc(C(=O)O)nc2)cc1
InChIInChI=1S/C12H10N2O2/c13-10-4-1-8(2-5-10)9-3-6-11(12(15)16)14-7-9/h1-7H,13H2,(H,15,16)
InChIKeyIRNSOHBOKJCYLR-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.03
Rot. Bonds2

About 5-(4-aminophenyl)pyridine-2-carboxylic acid

5-(4-aminophenyl)pyridine-2-carboxylic acid (PubChem CID 66634496) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 5-(4-aminophenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-aminophenyl)pyridine-2-carboxylic acid
PubChem CID66634496
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name5-(4-aminophenyl)pyridine-2-carboxylic acid
SMILESNc1ccc(-c2ccc(C(=O)O)nc2)cc1
InChIInChI=1S/C12H10N2O2/c13-10-4-1-8(2-5-10)9-3-6-11(12(15)16)14-7-9/h1-7H,13H2,(H,15,16)
InChIKeyIRNSOHBOKJCYLR-UHFFFAOYSA-N
XLogP2.03
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(4-aminophenyl)pyridine-2-carboxylic 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 5-(4-aminophenyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(4-aminophenyl)pyridine-2-carboxylic acid (CID 66634496) is 5-(4-aminophenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(4-aminophenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(4-aminophenyl)pyridine-2-carboxylic acid is Nc1ccc(-c2ccc(C(=O)O)nc2)cc1.
What is the InChIKey of 5-(4-aminophenyl)pyridine-2-carboxylic acid?
The InChIKey is IRNSOHBOKJCYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c13-10-4-1-8(2-5-10)9-3-6-11(12(15)16)14-7-9/h1-7H,13H2,(H,15,16).
What are the key properties of 5-(4-aminophenyl)pyridine-2-carboxylic acid?
5-(4-aminophenyl)pyridine-2-carboxylic acid has a molecular weight of 214.22 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 66634496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).