6-(4-carboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid

C13H8N2O6 — CID 58788780

IUPAC6-(4-carboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid
SMILESO=C(O)c1ccnc(-c2cc(C(=O)O)c(C(=O)O)cn2)c1
InChIInChI=1S/C13H8N2O6/c16-11(17)6-1-2-14-9(3-6)10-4-7(12(18)19)8(5-15-10)13(20)21/h1-5H,(H,16,17)(H,18,19)(H,20,21)
InChIKeyAJYXHCSNKJDGNZ-UHFFFAOYSA-N
MW288.22 g/mol
LogP1.24
Rot. Bonds4

About 6-(4-carboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid

6-(4-carboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid (PubChem CID 58788780) has the molecular formula C13H8N2O6 and a molecular weight of 288.22 g/mol. Its IUPAC name is 6-(4-carboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name6-(4-carboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid
PubChem CID58788780
Molecular FormulaC13H8N2O6
Molecular Weight288.22 g/mol
Exact Mass288.04
IUPAC Name6-(4-carboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid
SMILESO=C(O)c1ccnc(-c2cc(C(=O)O)c(C(=O)O)cn2)c1
InChIInChI=1S/C13H8N2O6/c16-11(17)6-1-2-14-9(3-6)10-4-7(12(18)19)8(5-15-10)13(20)21/h1-5H,(H,16,17)(H,18,19)(H,20,21)
InChIKeyAJYXHCSNKJDGNZ-UHFFFAOYSA-N
XLogP1.24
TPSA137.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

copper;bis(6-(4,5-dicarboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid)
CID 59303577
bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
CID 11982105
azanium 2-(4-carboxy-2-pyridinyl)quinoline-4-carboxylic acid
CID 101438368
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium;bis(2-pyridin-2-ylpyridine)
CID 162025014
2-pyridin-2-ylpyridine-4-carboxylic acid;dihydrochloride
CID 91928344
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
CID 14951635
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;nickel;(2-oxoniocarbonylbenzoyl)oxidanium
CID 59748498
2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid
CID 140555411
2-(furan-3-yl)pyridine-4-carboxylic acid
CID 91623804
2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid;hydrochloride
CID 140555410
2-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-4-carboxylic acid
CID 58252537
2-(2-pyridin-4-ylpyrimidin-4-yl)pyridine-4-carboxylic acid
CID 56861601

Frequently Asked Questions

What is the IUPAC name of 6-(4-carboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid?
The IUPAC name of 6-(4-carboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid (CID 58788780) is 6-(4-carboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid.
What is the SMILES notation for 6-(4-carboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid?
The canonical SMILES for 6-(4-carboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid is O=C(O)c1ccnc(-c2cc(C(=O)O)c(C(=O)O)cn2)c1.
What is the InChIKey of 6-(4-carboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid?
The InChIKey is AJYXHCSNKJDGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O6/c16-11(17)6-1-2-14-9(3-6)10-4-7(12(18)19)8(5-15-10)13(20)21/h1-5H,(H,16,17)(H,18,19)(H,20,21).
What are the key properties of 6-(4-carboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid?
6-(4-carboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid has a molecular weight of 288.22 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-carboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid is sourced from PubChem (CID 58788780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).