3-(3-carboxy-4-pyridinyl)pyridine-2-carboxylic acid

C12H8N2O4 — CID 67796910

IUPAC3-(3-carboxy-4-pyridinyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cnccc1-c1cccnc1C(=O)O
InChIInChI=1S/C12H8N2O4/c15-11(16)9-6-13-5-3-7(9)8-2-1-4-14-10(8)12(17)18/h1-6H,(H,15,16)(H,17,18)
InChIKeyJVYBRDMNJKMYEK-UHFFFAOYSA-N
MW244.21 g/mol
LogP1.54
Rot. Bonds3

About 3-(3-carboxy-4-pyridinyl)pyridine-2-carboxylic acid

3-(3-carboxy-4-pyridinyl)pyridine-2-carboxylic acid (PubChem CID 67796910) has the molecular formula C12H8N2O4 and a molecular weight of 244.21 g/mol. Its IUPAC name is 3-(3-carboxy-4-pyridinyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-carboxy-4-pyridinyl)pyridine-2-carboxylic acid
PubChem CID67796910
Molecular FormulaC12H8N2O4
Molecular Weight244.21 g/mol
Exact Mass244.05
IUPAC Name3-(3-carboxy-4-pyridinyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cnccc1-c1cccnc1C(=O)O
InChIInChI=1S/C12H8N2O4/c15-11(16)9-6-13-5-3-7(9)8-2-1-4-14-10(8)12(17)18/h1-6H,(H,15,16)(H,17,18)
InChIKeyJVYBRDMNJKMYEK-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

3-isoquinolin-5-ylpyridine-2-carboxylic acid
CID 107525025
3-pyridin-4-ylpyridine-2-carboxylic acid
CID 46316065
pyridine-2,3-dicarboxylic acid
CID 1066
3-[2-(hydroxymethyl)phenyl]pyridine-2-carboxylic acid
CID 53222725
3-phenylpyridine-2-carboxylic acid
CID 2762789
pyridine-2,3-dicarboxylic acid;hydrofluoride
CID 159031685
pyridine-2,3-dicarboxylic acid;dihydrochloride
CID 66831313
3-oxalopyridine-2-carboxylic acid
CID 15639413
3-(4-hydroxyphenyl)pyridine-2-carboxylic acid
CID 53222577
3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 52983947
3-(2,5-diethylphenyl)pyridine-2-carboxylic acid
CID 107525268
3-(3-cyano-2-fluorophenyl)pyridine-2-carboxylic acid
CID 53223141

Frequently Asked Questions

What is the IUPAC name of 3-(3-carboxy-4-pyridinyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(3-carboxy-4-pyridinyl)pyridine-2-carboxylic acid (CID 67796910) is 3-(3-carboxy-4-pyridinyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(3-carboxy-4-pyridinyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(3-carboxy-4-pyridinyl)pyridine-2-carboxylic acid is O=C(O)c1cnccc1-c1cccnc1C(=O)O.
What is the InChIKey of 3-(3-carboxy-4-pyridinyl)pyridine-2-carboxylic acid?
The InChIKey is JVYBRDMNJKMYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O4/c15-11(16)9-6-13-5-3-7(9)8-2-1-4-14-10(8)12(17)18/h1-6H,(H,15,16)(H,17,18).
What are the key properties of 3-(3-carboxy-4-pyridinyl)pyridine-2-carboxylic acid?
3-(3-carboxy-4-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-4-pyridinyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 67796910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).