5-(6-amino-2-carboxy-3-pyridinyl)benzene-1,3-dicarboxylic acid

C14H10N2O6 — CID 53229622

IUPAC5-(6-amino-2-carboxy-3-pyridinyl)benzene-1,3-dicarboxylic acid
SMILESNc1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)c(C(=O)O)n1
InChIInChI=1S/C14H10N2O6/c15-10-2-1-9(11(16-10)14(21)22)6-3-7(12(17)18)5-8(4-6)13(19)20/h1-5H,(H2,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKeyOVTCRNOVPDLUSH-UHFFFAOYSA-N
MW302.24 g/mol
LogP1.43
Rot. Bonds4

About 5-(6-amino-2-carboxy-3-pyridinyl)benzene-1,3-dicarboxylic acid

5-(6-amino-2-carboxy-3-pyridinyl)benzene-1,3-dicarboxylic acid (PubChem CID 53229622) has the molecular formula C14H10N2O6 and a molecular weight of 302.24 g/mol. Its IUPAC name is 5-(6-amino-2-carboxy-3-pyridinyl)benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-(6-amino-2-carboxy-3-pyridinyl)benzene-1,3-dicarboxylic acid
PubChem CID53229622
Molecular FormulaC14H10N2O6
Molecular Weight302.24 g/mol
Exact Mass302.05
IUPAC Name5-(6-amino-2-carboxy-3-pyridinyl)benzene-1,3-dicarboxylic acid
SMILESNc1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)c(C(=O)O)n1
InChIInChI=1S/C14H10N2O6/c15-10-2-1-9(11(16-10)14(21)22)6-3-7(12(17)18)5-8(4-6)13(19)20/h1-5H,(H2,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKeyOVTCRNOVPDLUSH-UHFFFAOYSA-N
XLogP1.43
TPSA150.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 5-(6-amino-2-carboxy-3-pyridinyl)benzene-1,3-dicarboxylic 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-(6-amino-2-carboxy-3-pyridinyl)benzene-1,3-dicarboxylic acid?
The IUPAC name of 5-(6-amino-2-carboxy-3-pyridinyl)benzene-1,3-dicarboxylic acid (CID 53229622) is 5-(6-amino-2-carboxy-3-pyridinyl)benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-(6-amino-2-carboxy-3-pyridinyl)benzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-(6-amino-2-carboxy-3-pyridinyl)benzene-1,3-dicarboxylic acid is Nc1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)c(C(=O)O)n1.
What is the InChIKey of 5-(6-amino-2-carboxy-3-pyridinyl)benzene-1,3-dicarboxylic acid?
The InChIKey is OVTCRNOVPDLUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O6/c15-10-2-1-9(11(16-10)14(21)22)6-3-7(12(17)18)5-8(4-6)13(19)20/h1-5H,(H2,15,16)(H,17,18)(H,19,20)(H,21,22).
What are the key properties of 5-(6-amino-2-carboxy-3-pyridinyl)benzene-1,3-dicarboxylic acid?
5-(6-amino-2-carboxy-3-pyridinyl)benzene-1,3-dicarboxylic acid has a molecular weight of 302.24 g/mol, XLogP of 1.43, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-amino-2-carboxy-3-pyridinyl)benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 53229622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).