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

C12H8N2O4 — CID 23423223

IUPAC3-(3-carboxy-2-pyridinyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccnc1-c1cccnc1C(=O)O
InChIInChI=1S/C12H8N2O4/c15-11(16)8-4-2-5-13-9(8)7-3-1-6-14-10(7)12(17)18/h1-6H,(H,15,16)(H,17,18)
InChIKeyBTAMTWZPAGHZCZ-UHFFFAOYSA-N
MW244.21 g/mol
LogP1.54
Rot. Bonds3

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

3-(3-carboxy-2-pyridinyl)pyridine-2-carboxylic acid (PubChem CID 23423223) has the molecular formula C12H8N2O4 and a molecular weight of 244.21 g/mol. Its IUPAC name is 3-(3-carboxy-2-pyridinyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-carboxy-2-pyridinyl)pyridine-2-carboxylic acid
PubChem CID23423223
Molecular FormulaC12H8N2O4
Molecular Weight244.21 g/mol
Exact Mass244.05
IUPAC Name3-(3-carboxy-2-pyridinyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccnc1-c1cccnc1C(=O)O
InChIInChI=1S/C12H8N2O4/c15-11(16)8-4-2-5-13-9(8)7-3-1-6-14-10(7)12(17)18/h1-6H,(H,15,16)(H,17,18)
InChIKeyBTAMTWZPAGHZCZ-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

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Related Compounds

Quinolinic Acid
CID 1066
Fusaric Acid
CID 3442
2,5-Pyridinedicarboxylic acid
CID 7493
Quinoline-3-carboxylic acid
CID 80971
5-(Methoxycarbonyl)pyridine-2-carboxylic acid
CID 314992
5-Ethylquinolinic acid
CID 113606
(2,2'-Bipyridine)-5,5'-dicarboxylic acid
CID 192744
2,2'-Bipyridine-3,3'-dicarboxylic Acid
CID 681885
6-Phenylnicotinic acid
CID 120118
5-Phenylpyridine-3-carboxylic acid
CID 346160
2,2'-Bipyridine-4-Carboxylic Acid
CID 9942424
Dimethyl 2,5-pyridine dicarboxylate
CID 234911

Frequently Asked Questions

What is the IUPAC name of 3-(3-carboxy-2-pyridinyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(3-carboxy-2-pyridinyl)pyridine-2-carboxylic acid (CID 23423223) is 3-(3-carboxy-2-pyridinyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(3-carboxy-2-pyridinyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(3-carboxy-2-pyridinyl)pyridine-2-carboxylic acid is O=C(O)c1cccnc1-c1cccnc1C(=O)O.
What is the InChIKey of 3-(3-carboxy-2-pyridinyl)pyridine-2-carboxylic acid?
The InChIKey is BTAMTWZPAGHZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O4/c15-11(16)8-4-2-5-13-9(8)7-3-1-6-14-10(7)12(17)18/h1-6H,(H,15,16)(H,17,18).
What are the key properties of 3-(3-carboxy-2-pyridinyl)pyridine-2-carboxylic acid?
3-(3-carboxy-2-pyridinyl)pyridine-2-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 3-(3-carboxy-2-pyridinyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 23423223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).