3-hydroxy-4-(pyridin-3-yldiazenyl)naphthalene-2-carboxylic acid

C16H11N3O3 — CID 3998882

IUPAC3-hydroxy-4-(pyridin-3-yldiazenyl)naphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2c(/N=N/c2cccnc2)c1O
InChIInChI=1S/C16H11N3O3/c20-15-13(16(21)22)8-10-4-1-2-6-12(10)14(15)19-18-11-5-3-7-17-9-11/h1-9,20H,(H,21,22)/b19-18+
InChIKeyWSKXEBUDSIDPQH-VHEBQXMUSA-N
MW293.28 g/mol
LogP4.05
Rot. Bonds3

About 3-hydroxy-4-(pyridin-3-yldiazenyl)naphthalene-2-carboxylic acid

3-hydroxy-4-(pyridin-3-yldiazenyl)naphthalene-2-carboxylic acid (PubChem CID 3998882) has the molecular formula C16H11N3O3 and a molecular weight of 293.28 g/mol. Its IUPAC name is 3-hydroxy-4-(pyridin-3-yldiazenyl)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-4-(pyridin-3-yldiazenyl)naphthalene-2-carboxylic acid
PubChem CID3998882
Molecular FormulaC16H11N3O3
Molecular Weight293.28 g/mol
Exact Mass293.08
IUPAC Name3-hydroxy-4-(pyridin-3-yldiazenyl)naphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2c(/N=N/c2cccnc2)c1O
InChIInChI=1S/C16H11N3O3/c20-15-13(16(21)22)8-10-4-1-2-6-12(10)14(15)19-18-11-5-3-7-17-9-11/h1-9,20H,(H,21,22)/b19-18+
InChIKeyWSKXEBUDSIDPQH-VHEBQXMUSA-N
XLogP4.05
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 3-hydroxy-4-(pyridin-3-yldiazenyl)naphthalene-2-carboxylic acid?
The IUPAC name of 3-hydroxy-4-(pyridin-3-yldiazenyl)naphthalene-2-carboxylic acid (CID 3998882) is 3-hydroxy-4-(pyridin-3-yldiazenyl)naphthalene-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-4-(pyridin-3-yldiazenyl)naphthalene-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-4-(pyridin-3-yldiazenyl)naphthalene-2-carboxylic acid is O=C(O)c1cc2ccccc2c(/N=N/c2cccnc2)c1O.
What is the InChIKey of 3-hydroxy-4-(pyridin-3-yldiazenyl)naphthalene-2-carboxylic acid?
The InChIKey is WSKXEBUDSIDPQH-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H11N3O3/c20-15-13(16(21)22)8-10-4-1-2-6-12(10)14(15)19-18-11-5-3-7-17-9-11/h1-9,20H,(H,21,22)/b19-18+.
What are the key properties of 3-hydroxy-4-(pyridin-3-yldiazenyl)naphthalene-2-carboxylic acid?
3-hydroxy-4-(pyridin-3-yldiazenyl)naphthalene-2-carboxylic acid has a molecular weight of 293.28 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(pyridin-3-yldiazenyl)naphthalene-2-carboxylic acid is sourced from PubChem (CID 3998882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).