methyl-(2-methyl-3-nitrophenyl)diazene

C8H9N3O2 — CID 59633814

IUPACmethyl-(2-methyl-3-nitrophenyl)diazene
SMILESC/N=N/c1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C8H9N3O2/c1-6-7(10-9-2)4-3-5-8(6)11(12)13/h3-5H,1-2H3/b10-9+
InChIKeyRMGALNCAYIOUDO-MDZDMXLPSA-N
MW179.18 g/mol
LogP2.62
Rot. Bonds2

About methyl-(2-methyl-3-nitrophenyl)diazene

methyl-(2-methyl-3-nitrophenyl)diazene (PubChem CID 59633814) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is methyl-(2-methyl-3-nitrophenyl)diazene.

Molecular Properties

Compound Namemethyl-(2-methyl-3-nitrophenyl)diazene
PubChem CID59633814
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Namemethyl-(2-methyl-3-nitrophenyl)diazene
SMILESC/N=N/c1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C8H9N3O2/c1-6-7(10-9-2)4-3-5-8(6)11(12)13/h3-5H,1-2H3/b10-9+
InChIKeyRMGALNCAYIOUDO-MDZDMXLPSA-N
XLogP2.62
TPSA67.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

4-ethyl-2-[(2-methyl-3-nitrophenyl)diazenyl]phenol
CID 3359294
1-chloro-2-methyl-3-nitrobenzene
CID 6740
1-(3-chlorophenyl)-N-(2-methyl-3-nitrophenyl)methanimine
CID 780602
(2-methyl-3-nitrophenyl)-(2-methylphenyl)imino-oxidoazanium
CID 14528178
3-[(3-hydroxy-2-methylphenyl)diazenyl]-2-methylphenol;nitrobenzene
CID 159495095
ethyl N-(2-methyl-3-nitrophenyl)propanimidate
CID 13047992
2-methyl-1-methylsulfonyl-3-nitrobenzene
CID 11746002
N-(2-methyl-3-nitrophenyl)hydroxylamine
CID 5489549
ethyl 2-[[(2-methyl-3-nitrophenyl)diazenyl]hydrazinylidene]butanoate
CID 141304494
2-methyl-1-nitro-3-(sulfamoylamino)benzene
CID 112573289
methyl-(4-nitrophenyl)diazene
CID 20760343
(1S)-1-(2-methyl-3-nitrophenyl)ethanamine
CID 96955479

Frequently Asked Questions

What is the IUPAC name of methyl-(2-methyl-3-nitrophenyl)diazene?
The IUPAC name of methyl-(2-methyl-3-nitrophenyl)diazene (CID 59633814) is methyl-(2-methyl-3-nitrophenyl)diazene.
What is the SMILES notation for methyl-(2-methyl-3-nitrophenyl)diazene?
The canonical SMILES for methyl-(2-methyl-3-nitrophenyl)diazene is C/N=N/c1cccc([N+](=O)[O-])c1C.
What is the InChIKey of methyl-(2-methyl-3-nitrophenyl)diazene?
The InChIKey is RMGALNCAYIOUDO-MDZDMXLPSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-6-7(10-9-2)4-3-5-8(6)11(12)13/h3-5H,1-2H3/b10-9+.
What are the key properties of methyl-(2-methyl-3-nitrophenyl)diazene?
methyl-(2-methyl-3-nitrophenyl)diazene has a molecular weight of 179.18 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(2-methyl-3-nitrophenyl)diazene is sourced from PubChem (CID 59633814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).