methyl-(4-nitrophenyl)diazene

C7H7N3O2 — CID 20760343

IUPACmethyl-(4-nitrophenyl)diazene
SMILESC/N=N/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H7N3O2/c1-8-9-6-2-4-7(5-3-6)10(11)12/h2-5H,1H3/b9-8+
InChIKeyRUWHECYDYJGPOU-CMDGGOBGSA-N
MW165.15 g/mol
LogP2.31
Rot. Bonds2

About methyl-(4-nitrophenyl)diazene

methyl-(4-nitrophenyl)diazene (PubChem CID 20760343) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is methyl-(4-nitrophenyl)diazene.

Molecular Properties

Compound Namemethyl-(4-nitrophenyl)diazene
PubChem CID20760343
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Namemethyl-(4-nitrophenyl)diazene
SMILESC/N=N/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H7N3O2/c1-8-9-6-2-4-7(5-3-6)10(11)12/h2-5H,1H3/b9-8+
InChIKeyRUWHECYDYJGPOU-CMDGGOBGSA-N
XLogP2.31
TPSA67.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 52.31
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-nitrophenyl)-phenyldiazene
CID 17222
1-nitro-4-nitrosobenzene
CID 643547
N-iodo-4-[(4-nitrophenyl)diazenyl]aniline
CID 145350386
2-[(4-nitrophenyl)diazenyl]propanoic acid
CID 91000303
[4-(3-methylbutoxy)phenyl]-(4-nitrophenyl)diazene
CID 177395808
2,6-dibromo-4-[(4-nitrophenyl)diazenyl]phenol
CID 135612765
[8a-[(4-nitrophenyl)diazenyl]-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-yl]-(4-nitrophenyl)diazene
CID 12828362
(4-methylphenyl)-(4-nitrophenyl)imino-oxidoazanium
CID 14528183
2-methyl-6-[(4-nitrophenyl)diazenyl]phenol
CID 135789847
5-methyl-4-[(4-nitrophenyl)diazenyl]-1,2-dihydropyrazol-3-one
CID 5113368
N-(4-methoxyphenyl)-4-[(4-nitrophenyl)diazenyl]aniline
CID 163545972
1,4-dinitrobenzene;nitrous acid
CID 174371180

Frequently Asked Questions

What is the IUPAC name of methyl-(4-nitrophenyl)diazene?
The IUPAC name of methyl-(4-nitrophenyl)diazene (CID 20760343) is methyl-(4-nitrophenyl)diazene.
What is the SMILES notation for methyl-(4-nitrophenyl)diazene?
The canonical SMILES for methyl-(4-nitrophenyl)diazene is C/N=N/c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of methyl-(4-nitrophenyl)diazene?
The InChIKey is RUWHECYDYJGPOU-CMDGGOBGSA-N. The full InChI is InChI=1S/C7H7N3O2/c1-8-9-6-2-4-7(5-3-6)10(11)12/h2-5H,1H3/b9-8+.
What are the key properties of methyl-(4-nitrophenyl)diazene?
methyl-(4-nitrophenyl)diazene has a molecular weight of 165.15 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(4-nitrophenyl)diazene is sourced from PubChem (CID 20760343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).