6-[(E)-(6-carboxy-2-pyridinyl)diazenyl]pyridine-2-carboxylic acid

C12H8N4O4 — CID 134844060

IUPAC6-[(E)-(6-carboxy-2-pyridinyl)diazenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(/N=N/c2cccc(C(=O)O)n2)n1
InChIInChI=1S/C12H8N4O4/c17-11(18)7-3-1-5-9(13-7)15-16-10-6-2-4-8(14-10)12(19)20/h1-6H,(H,17,18)(H,19,20)/b16-15+
InChIKeyVKSGYTOOYULWPC-FOCLMDBBSA-N
MW272.22 g/mol
LogP2.29
Rot. Bonds4

About 6-[(E)-(6-carboxy-2-pyridinyl)diazenyl]pyridine-2-carboxylic acid

6-[(E)-(6-carboxy-2-pyridinyl)diazenyl]pyridine-2-carboxylic acid (PubChem CID 134844060) has the molecular formula C12H8N4O4 and a molecular weight of 272.22 g/mol. Its IUPAC name is 6-[(E)-(6-carboxy-2-pyridinyl)diazenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(E)-(6-carboxy-2-pyridinyl)diazenyl]pyridine-2-carboxylic acid
PubChem CID134844060
Molecular FormulaC12H8N4O4
Molecular Weight272.22 g/mol
Exact Mass272.05
IUPAC Name6-[(E)-(6-carboxy-2-pyridinyl)diazenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(/N=N/c2cccc(C(=O)O)n2)n1
InChIInChI=1S/C12H8N4O4/c17-11(18)7-3-1-5-9(13-7)15-16-10-6-2-4-8(14-10)12(19)20/h1-6H,(H,17,18)(H,19,20)/b16-15+
InChIKeyVKSGYTOOYULWPC-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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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-(6-carboxy-2-pyridinyl)diazenyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(E)-(6-carboxy-2-pyridinyl)diazenyl]pyridine-2-carboxylic acid (CID 134844060) is 6-[(E)-(6-carboxy-2-pyridinyl)diazenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(E)-(6-carboxy-2-pyridinyl)diazenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(E)-(6-carboxy-2-pyridinyl)diazenyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(/N=N/c2cccc(C(=O)O)n2)n1.
What is the InChIKey of 6-[(E)-(6-carboxy-2-pyridinyl)diazenyl]pyridine-2-carboxylic acid?
The InChIKey is VKSGYTOOYULWPC-FOCLMDBBSA-N. The full InChI is InChI=1S/C12H8N4O4/c17-11(18)7-3-1-5-9(13-7)15-16-10-6-2-4-8(14-10)12(19)20/h1-6H,(H,17,18)(H,19,20)/b16-15+.
What are the key properties of 6-[(E)-(6-carboxy-2-pyridinyl)diazenyl]pyridine-2-carboxylic acid?
6-[(E)-(6-carboxy-2-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 6-[(E)-(6-carboxy-2-pyridinyl)diazenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 134844060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).