3-[(2-carboxy-3-pyridinyl)diazenyl]pyridine-2-carboxylic acid

C12H8N4O4 — CID 154631764

IUPAC3-[(2-carboxy-3-pyridinyl)diazenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1/N=N/c1cccnc1C(=O)O
InChIInChI=1S/C12H8N4O4/c17-11(18)9-7(3-1-5-13-9)15-16-8-4-2-6-14-10(8)12(19)20/h1-6H,(H,17,18)(H,19,20)/b16-15+
InChIKeyKFHFDSJVMVDXQH-FOCLMDBBSA-N
MW272.22 g/mol
LogP2.29
Rot. Bonds4

About 3-[(2-carboxy-3-pyridinyl)diazenyl]pyridine-2-carboxylic acid

3-[(2-carboxy-3-pyridinyl)diazenyl]pyridine-2-carboxylic acid (PubChem CID 154631764) has the molecular formula C12H8N4O4 and a molecular weight of 272.22 g/mol. Its IUPAC name is 3-[(2-carboxy-3-pyridinyl)diazenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-carboxy-3-pyridinyl)diazenyl]pyridine-2-carboxylic acid
PubChem CID154631764
Molecular FormulaC12H8N4O4
Molecular Weight272.22 g/mol
Exact Mass272.05
IUPAC Name3-[(2-carboxy-3-pyridinyl)diazenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1/N=N/c1cccnc1C(=O)O
InChIInChI=1S/C12H8N4O4/c17-11(18)9-7(3-1-5-13-9)15-16-8-4-2-6-14-10(8)12(19)20/h1-6H,(H,17,18)(H,19,20)/b16-15+
InChIKeyKFHFDSJVMVDXQH-FOCLMDBBSA-N
XLogP2.29
TPSA125.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

pyridine-2,3-dicarboxylic acid
CID 1066
pyridine-2,3-dicarboxylic acid;hydrofluoride
CID 159031685
pyridine-2,3-dicarboxylic acid;dihydrochloride
CID 66831313
tetrakis(2-carboxypyridin-3-olate);iridium
CID 173055687
3-oxalopyridine-2-carboxylic acid
CID 15639413
3-methylpyridine-2-carboxylic acid;oxygen(2-);vanadium(4+)
CID 10058713
3-phenylpyridine-2-carboxylic acid
CID 2762789
3-(methylamino)pyridine-2-carboxylic acid
CID 19779285
3-pyridin-4-ylpyridine-2-carboxylic acid
CID 46316065
acetic acid;3-ethylpyridine-2-carboxylic acid
CID 118035690
3-(triazol-2-yl)pyridine-2-carboxylic acid
CID 66742288
3-[amino(carboxy)methyl]pyridine-2-carboxylic acid
CID 55269011

Frequently Asked Questions

What is the IUPAC name of 3-[(2-carboxy-3-pyridinyl)diazenyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(2-carboxy-3-pyridinyl)diazenyl]pyridine-2-carboxylic acid (CID 154631764) is 3-[(2-carboxy-3-pyridinyl)diazenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(2-carboxy-3-pyridinyl)diazenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(2-carboxy-3-pyridinyl)diazenyl]pyridine-2-carboxylic acid is O=C(O)c1ncccc1/N=N/c1cccnc1C(=O)O.
What is the InChIKey of 3-[(2-carboxy-3-pyridinyl)diazenyl]pyridine-2-carboxylic acid?
The InChIKey is KFHFDSJVMVDXQH-FOCLMDBBSA-N. The full InChI is InChI=1S/C12H8N4O4/c17-11(18)9-7(3-1-5-13-9)15-16-8-4-2-6-14-10(8)12(19)20/h1-6H,(H,17,18)(H,19,20)/b16-15+.
What are the key properties of 3-[(2-carboxy-3-pyridinyl)diazenyl]pyridine-2-carboxylic acid?
3-[(2-carboxy-3-pyridinyl)diazenyl]pyridine-2-carboxylic acid has a molecular weight of 272.22 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-carboxy-3-pyridinyl)diazenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 154631764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).