6-methoxy-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol

C16H12N4O4 — CID 136661701

IUPAC6-methoxy-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol
SMILESCOc1ccc2c(O)c(/N=N/c3ccc([N+](=O)[O-])cn3)ccc2c1
InChIInChI=1S/C16H12N4O4/c1-24-12-4-5-13-10(8-12)2-6-14(16(13)21)18-19-15-7-3-11(9-17-15)20(22)23/h2-9,21H,1H3/b19-18+
InChIKeyPNTQYGKUVSNZBB-VHEBQXMUSA-N
MW324.30 g/mol
LogP4.27
Rot. Bonds4

About 6-methoxy-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol

6-methoxy-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol (PubChem CID 136661701) has the molecular formula C16H12N4O4 and a molecular weight of 324.30 g/mol. Its IUPAC name is 6-methoxy-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol.

Molecular Properties

Compound Name6-methoxy-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol
PubChem CID136661701
Molecular FormulaC16H12N4O4
Molecular Weight324.30 g/mol
Exact Mass324.09
IUPAC Name6-methoxy-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol
SMILESCOc1ccc2c(O)c(/N=N/c3ccc([N+](=O)[O-])cn3)ccc2c1
InChIInChI=1S/C16H12N4O4/c1-24-12-4-5-13-10(8-12)2-6-14(16(13)21)18-19-15-7-3-11(9-17-15)20(22)23/h2-9,21H,1H3/b19-18+
InChIKeyPNTQYGKUVSNZBB-VHEBQXMUSA-N
XLogP4.27
TPSA110.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 54.27
H-Bond Donors ≤ 51
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-Naphthalenol, 2-[2-(5-nitro-2-pyridinyl)diazenyl]-
CID 135754927
7-Pentadecyloxy-1-(2-pyridylazo)-2-naphthol
CID 136645866
1-Naphthalenol, 2-[2-(3-nitro-2-pyridinyl)diazenyl]-
CID 136241749
1,2-Naphthalenedione, 4-(4-hydroxy-3,5-dimethylphenyl)-, 2-[2-(5-nitro-2-pyridinyl)hydrazone]-
CID 136661120
1,2-Naphthalenedione, 4-(3-nitrophenoxy)-, 2-[2-(5-nitro-2-pyridinyl)hydrazone]-
CID 136664719
Benzoic acid, 4-[[3,4-dihydro-3-[2-(5-nitro-2-pyridinyl)hydrazinylidene]-4-oxo-1-naphthalenyl]oxy]-, methyl ester
CID 136664725
1-Naphthalenol, 6-methoxy-2-[2-(2-pyridinyl)diazenyl]-
CID 136665563
2-[2-(5-Nitropyridin-2-yl)hydrazinyl]naphthalene-1,4-dione
CID 136665588
1,4-Naphthalenediol, 2-[2-(5-nitro-2-pyridinyl)diazenyl]-, 4-acetate
CID 136665589
2-Naphthalenol, 4-methoxy-1-[2-(2-pyridinyl)diazenyl]-
CID 136666149
1-Naphthalenol, 6-methoxy-2-[2-(4-methyl-2-pyridinyl)diazenyl]-
CID 136666163
1-(2,4-dimethoxyphenyl)-N-(6-nitroisoquinolin-1-yl)methanimine
CID 59108888

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol?
The IUPAC name of 6-methoxy-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol (CID 136661701) is 6-methoxy-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol.
What is the SMILES notation for 6-methoxy-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol?
The canonical SMILES for 6-methoxy-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol is COc1ccc2c(O)c(/N=N/c3ccc([N+](=O)[O-])cn3)ccc2c1.
What is the InChIKey of 6-methoxy-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol?
The InChIKey is PNTQYGKUVSNZBB-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H12N4O4/c1-24-12-4-5-13-10(8-12)2-6-14(16(13)21)18-19-15-7-3-11(9-17-15)20(22)23/h2-9,21H,1H3/b19-18+.
What are the key properties of 6-methoxy-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol?
6-methoxy-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol has a molecular weight of 324.30 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol is sourced from PubChem (CID 136661701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).