2-(3-carboxy-2-pyridinyl)pyridine-3-carboxylic acid

C12H8N2O4 — CID 681885

IUPAC2-(3-carboxy-2-pyridinyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1-c1ncccc1C(=O)O
InChIInChI=1S/C12H8N2O4/c15-11(16)7-3-1-5-13-9(7)10-8(12(17)18)4-2-6-14-10/h1-6H,(H,15,16)(H,17,18)
InChIKeyKNVZVRWMLMPTTJ-UHFFFAOYSA-N
MW244.21 g/mol
LogP1.54
Rot. Bonds3

About 2-(3-carboxy-2-pyridinyl)pyridine-3-carboxylic acid

2-(3-carboxy-2-pyridinyl)pyridine-3-carboxylic acid (PubChem CID 681885) has the molecular formula C12H8N2O4 and a molecular weight of 244.21 g/mol. Its IUPAC name is 2-(3-carboxy-2-pyridinyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-carboxy-2-pyridinyl)pyridine-3-carboxylic acid
PubChem CID681885
Molecular FormulaC12H8N2O4
Molecular Weight244.21 g/mol
Exact Mass244.05
IUPAC Name2-(3-carboxy-2-pyridinyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1-c1ncccc1C(=O)O
InChIInChI=1S/C12H8N2O4/c15-11(16)7-3-1-5-13-9(7)10-8(12(17)18)4-2-6-14-10/h1-6H,(H,15,16)(H,17,18)
InChIKeyKNVZVRWMLMPTTJ-UHFFFAOYSA-N
XLogP1.54
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-carboxy-2-pyridinyl)pyridine-3-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 2-(3-carboxy-2-pyridinyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-carboxy-2-pyridinyl)pyridine-3-carboxylic acid (CID 681885) is 2-(3-carboxy-2-pyridinyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-carboxy-2-pyridinyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-carboxy-2-pyridinyl)pyridine-3-carboxylic acid is O=C(O)c1cccnc1-c1ncccc1C(=O)O.
What is the InChIKey of 2-(3-carboxy-2-pyridinyl)pyridine-3-carboxylic acid?
The InChIKey is KNVZVRWMLMPTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O4/c15-11(16)7-3-1-5-13-9(7)10-8(12(17)18)4-2-6-14-10/h1-6H,(H,15,16)(H,17,18).
What are the key properties of 2-(3-carboxy-2-pyridinyl)pyridine-3-carboxylic acid?
2-(3-carboxy-2-pyridinyl)pyridine-3-carboxylic acid has a molecular weight of 244.21 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carboxy-2-pyridinyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 681885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).