5-[(3-carboxy-4-hydroxyphenyl)diazenyl]pyridine-3-carboxylic acid

C13H9N3O5 — CID 154698524

IUPAC5-[(3-carboxy-4-hydroxyphenyl)diazenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(/N=N/c2ccc(O)c(C(=O)O)c2)c1
InChIInChI=1S/C13H9N3O5/c17-11-2-1-8(4-10(11)13(20)21)15-16-9-3-7(12(18)19)5-14-6-9/h1-6,17H,(H,18,19)(H,20,21)/b16-15+
InChIKeyLRBJTNPAFMTUIG-FOCLMDBBSA-N
MW287.23 g/mol
LogP2.60
Rot. Bonds4

About 5-[(3-carboxy-4-hydroxyphenyl)diazenyl]pyridine-3-carboxylic acid

5-[(3-carboxy-4-hydroxyphenyl)diazenyl]pyridine-3-carboxylic acid (PubChem CID 154698524) has the molecular formula C13H9N3O5 and a molecular weight of 287.23 g/mol. Its IUPAC name is 5-[(3-carboxy-4-hydroxyphenyl)diazenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3-carboxy-4-hydroxyphenyl)diazenyl]pyridine-3-carboxylic acid
PubChem CID154698524
Molecular FormulaC13H9N3O5
Molecular Weight287.23 g/mol
Exact Mass287.05
IUPAC Name5-[(3-carboxy-4-hydroxyphenyl)diazenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(/N=N/c2ccc(O)c(C(=O)O)c2)c1
InChIInChI=1S/C13H9N3O5/c17-11-2-1-8(4-10(11)13(20)21)15-16-9-3-7(12(18)19)5-14-6-9/h1-6,17H,(H,18,19)(H,20,21)/b16-15+
InChIKeyLRBJTNPAFMTUIG-FOCLMDBBSA-N
XLogP2.60
TPSA132.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 52.60
H-Bond Donors ≤ 53
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

5-[[4-[2-[4-[(3-carboxy-4-hydroxyphenyl)diazenyl]phenyl]ethyl]phenyl]diazenyl]-2-hydroxybenzoic acid
CID 177409080
4-[(3-carboxy-4-hydroxyphenyl)diazenyl]benzenesulfonate
CID 3746741
CID 170854418
CID 170854418
4-hydroxybenzene-1,3-dicarboxylic acid
CID 161113247
3-[(3,4-dihydroxyphenyl)diazenyl]benzoic acid
CID 135853153
5-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
CID 136609205
sodium;hydride;2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid
CID 173234784
pyridine-3,5-dicarboxylic acid;hydrochloride
CID 66910809
pyridine-3,5-dicarboxylic acid;dihydrobromide
CID 139466512
sodium;5-[[4-(2-carboxyethylcarbamoyl)phenyl]diazenyl]-2-hydroxybenzoic acid;hydride
CID 173281834
5-[[4-(ethenylsulfamoyl)phenyl]diazenyl]-2-hydroxybenzoic acid
CID 4076883
2-hydroxy-5-[(4-methoxy-3-sulfophenyl)diazenyl]benzoic acid
CID 136736042

Frequently Asked Questions

What is the IUPAC name of 5-[(3-carboxy-4-hydroxyphenyl)diazenyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(3-carboxy-4-hydroxyphenyl)diazenyl]pyridine-3-carboxylic acid (CID 154698524) is 5-[(3-carboxy-4-hydroxyphenyl)diazenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(3-carboxy-4-hydroxyphenyl)diazenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(3-carboxy-4-hydroxyphenyl)diazenyl]pyridine-3-carboxylic acid is O=C(O)c1cncc(/N=N/c2ccc(O)c(C(=O)O)c2)c1.
What is the InChIKey of 5-[(3-carboxy-4-hydroxyphenyl)diazenyl]pyridine-3-carboxylic acid?
The InChIKey is LRBJTNPAFMTUIG-FOCLMDBBSA-N. The full InChI is InChI=1S/C13H9N3O5/c17-11-2-1-8(4-10(11)13(20)21)15-16-9-3-7(12(18)19)5-14-6-9/h1-6,17H,(H,18,19)(H,20,21)/b16-15+.
What are the key properties of 5-[(3-carboxy-4-hydroxyphenyl)diazenyl]pyridine-3-carboxylic acid?
5-[(3-carboxy-4-hydroxyphenyl)diazenyl]pyridine-3-carboxylic acid has a molecular weight of 287.23 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-carboxy-4-hydroxyphenyl)diazenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 154698524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).