2-[(5-nitro-2-pyridinyl)diazenyl]naphthalene-1,4-diol

C15H10N4O4 — CID 136665588

IUPAC2-[(5-nitro-2-pyridinyl)diazenyl]naphthalene-1,4-diol
SMILESO=[N+]([O-])c1ccc(/N=N/c2cc(O)c3ccccc3c2O)nc1
InChIInChI=1S/C15H10N4O4/c20-13-7-12(15(21)11-4-2-1-3-10(11)13)17-18-14-6-5-9(8-16-14)19(22)23/h1-8,20-21H/b18-17+
InChIKeyVRODRWFLHQAQPA-ISLYRVAYSA-N
MW310.27 g/mol
LogP3.97
Rot. Bonds3

About 2-[(5-nitro-2-pyridinyl)diazenyl]naphthalene-1,4-diol

2-[(5-nitro-2-pyridinyl)diazenyl]naphthalene-1,4-diol (PubChem CID 136665588) has the molecular formula C15H10N4O4 and a molecular weight of 310.27 g/mol. Its IUPAC name is 2-[(5-nitro-2-pyridinyl)diazenyl]naphthalene-1,4-diol.

Molecular Properties

Compound Name2-[(5-nitro-2-pyridinyl)diazenyl]naphthalene-1,4-diol
PubChem CID136665588
Molecular FormulaC15H10N4O4
Molecular Weight310.27 g/mol
Exact Mass310.07
IUPAC Name2-[(5-nitro-2-pyridinyl)diazenyl]naphthalene-1,4-diol
SMILESO=[N+]([O-])c1ccc(/N=N/c2cc(O)c3ccccc3c2O)nc1
InChIInChI=1S/C15H10N4O4/c20-13-7-12(15(21)11-4-2-1-3-10(11)13)17-18-14-6-5-9(8-16-14)19(22)23/h1-8,20-21H/b18-17+
InChIKeyVRODRWFLHQAQPA-ISLYRVAYSA-N
XLogP3.97
TPSA121.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(5-nitro-2-pyridinyl)diazenyl]naphthalene-1,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-nitrophenyl)diazenyl]naphthalene-1,4-diol
CID 135503618
2-phenyldiazenylnaphthalene-1,4-diol
CID 135400911
1-(5-hydroxynaphthalen-1-yl)-2-(5-nitro-2-pyridinyl)guanidine
CID 100573604
1-N,1-N-dimethyl-4-[(5-nitro-2-pyridinyl)diazenyl]benzene-1,3-diamine
CID 86181783
10-[(2,4-dinitrophenyl)diazenyl]anthracen-9-ol
CID 136691071
(5-nitro-2-pyridinyl)-(phthalazin-1-ylmethyl)diazene
CID 54157550
2-methoxy-6-[[(5-nitro-2-pyridinyl)diazenyl]methyl]phenol
CID 91897591
1-hydroxy-N-(5-nitro-2-pyridinyl)pyridin-2-imine
CID 139214633
2-isothiocyanato-5-nitropyridine
CID 12866943
2-(5-nitro-2-pyridinyl)-1-phenylguanidine
CID 100573340
3-(2-hydroxy-N-propylanilino)-3-[(5-nitro-2-pyridinyl)diazenyl]propane-1-sulfonic acid
CID 139820238
sodium 2-[(1-hydroxy-5-sulfonaphthalen-2-yl)diazenyl]-4-nitrophenolate
CID 170843186

Frequently Asked Questions

What is the IUPAC name of 2-[(5-nitro-2-pyridinyl)diazenyl]naphthalene-1,4-diol?
The IUPAC name of 2-[(5-nitro-2-pyridinyl)diazenyl]naphthalene-1,4-diol (CID 136665588) is 2-[(5-nitro-2-pyridinyl)diazenyl]naphthalene-1,4-diol.
What is the SMILES notation for 2-[(5-nitro-2-pyridinyl)diazenyl]naphthalene-1,4-diol?
The canonical SMILES for 2-[(5-nitro-2-pyridinyl)diazenyl]naphthalene-1,4-diol is O=[N+]([O-])c1ccc(/N=N/c2cc(O)c3ccccc3c2O)nc1.
What is the InChIKey of 2-[(5-nitro-2-pyridinyl)diazenyl]naphthalene-1,4-diol?
The InChIKey is VRODRWFLHQAQPA-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H10N4O4/c20-13-7-12(15(21)11-4-2-1-3-10(11)13)17-18-14-6-5-9(8-16-14)19(22)23/h1-8,20-21H/b18-17+.
What are the key properties of 2-[(5-nitro-2-pyridinyl)diazenyl]naphthalene-1,4-diol?
2-[(5-nitro-2-pyridinyl)diazenyl]naphthalene-1,4-diol has a molecular weight of 310.27 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-nitro-2-pyridinyl)diazenyl]naphthalene-1,4-diol is sourced from PubChem (CID 136665588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).