2-methoxy-6-[[(5-nitro-2-pyridinyl)diazenyl]methyl]phenol

C13H12N4O4 — CID 91897591

IUPAC2-methoxy-6-[[(5-nitro-2-pyridinyl)diazenyl]methyl]phenol
SMILESCOc1cccc(C/N=N/c2ccc([N+](=O)[O-])cn2)c1O
InChIInChI=1S/C13H12N4O4/c1-21-11-4-2-3-9(13(11)18)7-15-16-12-6-5-10(8-14-12)17(19)20/h2-6,8,18H,7H2,1H3/b16-15+
InChIKeyGUVJSOWJSZKVLM-FOCLMDBBSA-N
MW288.26 g/mol
LogP2.99
Rot. Bonds5

About 2-methoxy-6-[[(5-nitro-2-pyridinyl)diazenyl]methyl]phenol

2-methoxy-6-[[(5-nitro-2-pyridinyl)diazenyl]methyl]phenol (PubChem CID 91897591) has the molecular formula C13H12N4O4 and a molecular weight of 288.26 g/mol. Its IUPAC name is 2-methoxy-6-[[(5-nitro-2-pyridinyl)diazenyl]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[[(5-nitro-2-pyridinyl)diazenyl]methyl]phenol
PubChem CID91897591
Molecular FormulaC13H12N4O4
Molecular Weight288.26 g/mol
Exact Mass288.09
IUPAC Name2-methoxy-6-[[(5-nitro-2-pyridinyl)diazenyl]methyl]phenol
SMILESCOc1cccc(C/N=N/c2ccc([N+](=O)[O-])cn2)c1O
InChIInChI=1S/C13H12N4O4/c1-21-11-4-2-3-9(13(11)18)7-15-16-12-6-5-10(8-14-12)17(19)20/h2-6,8,18H,7H2,1H3/b16-15+
InChIKeyGUVJSOWJSZKVLM-FOCLMDBBSA-N
XLogP2.99
TPSA110.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'mannich_A(296)', '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-(4-methoxyphenyl)pyrrol-2-yl]methyl-(5-nitro-2-pyridinyl)diazene
CID 170921731
2-[[(6-chloro-2-methylpyrimidin-4-yl)diazenyl]methyl]-6-methoxyphenol
CID 91897797
[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]methyl-(5-nitro-2-pyridinyl)diazene
CID 170922180
2-methoxy-6-[[(6-morpholin-4-ylpyrimidin-4-yl)diazenyl]methyl]phenol
CID 91897136
2-methoxy-6-[(3-nitroanilino)methyl]phenol
CID 5140432
2-[(2-bromo-4-nitroanilino)methyl]-6-methoxyphenol
CID 43742335
2-methoxy-6-(phosphanylmethyl)phenol
CID 155024507
(3-methyl-4-pyrrolidin-1-ylphenyl)methyl-(5-nitro-2-pyridinyl)diazene
CID 170921733
1,2-bis[(2-methoxyphenyl)methoxy]-4-nitrobenzene
CID 142794424
2-methoxy-6-[(3-methoxy-4-nitroanilino)methyl]phenol
CID 133448219
4-chloro-5-[(2-hydroxy-3-methoxyphenyl)methylamino]-2-(4-nitrophenyl)pyridazin-3-one
CID 133448216
2-[(2-fluoro-6-nitroanilino)methyl]-6-methoxyphenol
CID 81306899

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[(5-nitro-2-pyridinyl)diazenyl]methyl]phenol?
The IUPAC name of 2-methoxy-6-[[(5-nitro-2-pyridinyl)diazenyl]methyl]phenol (CID 91897591) is 2-methoxy-6-[[(5-nitro-2-pyridinyl)diazenyl]methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[[(5-nitro-2-pyridinyl)diazenyl]methyl]phenol?
The canonical SMILES for 2-methoxy-6-[[(5-nitro-2-pyridinyl)diazenyl]methyl]phenol is COc1cccc(C/N=N/c2ccc([N+](=O)[O-])cn2)c1O.
What is the InChIKey of 2-methoxy-6-[[(5-nitro-2-pyridinyl)diazenyl]methyl]phenol?
The InChIKey is GUVJSOWJSZKVLM-FOCLMDBBSA-N. The full InChI is InChI=1S/C13H12N4O4/c1-21-11-4-2-3-9(13(11)18)7-15-16-12-6-5-10(8-14-12)17(19)20/h2-6,8,18H,7H2,1H3/b16-15+.
What are the key properties of 2-methoxy-6-[[(5-nitro-2-pyridinyl)diazenyl]methyl]phenol?
2-methoxy-6-[[(5-nitro-2-pyridinyl)diazenyl]methyl]phenol has a molecular weight of 288.26 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[(5-nitro-2-pyridinyl)diazenyl]methyl]phenol is sourced from PubChem (CID 91897591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).