2,5-dimethyl-4-[(4-nitrophenyl)diazenyl]benzenediazonium

C14H12N5O2+ — CID 59112489

IUPAC2,5-dimethyl-4-[(4-nitrophenyl)diazenyl]benzenediazonium
SMILESCc1cc([N+]#N)c(C)cc1/N=N/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H12N5O2/c1-9-8-14(10(2)7-13(9)16-15)18-17-11-3-5-12(6-4-11)19(20)21/h3-8H,1-2H3/q+1/b18-17+
InChIKeyNWDHBJONRYSTMF-ISLYRVAYSA-N
MW282.28 g/mol
LogP5.11
Rot. Bonds3

About 2,5-dimethyl-4-[(4-nitrophenyl)diazenyl]benzenediazonium

2,5-dimethyl-4-[(4-nitrophenyl)diazenyl]benzenediazonium (PubChem CID 59112489) has the molecular formula C14H12N5O2+ and a molecular weight of 282.28 g/mol. Its IUPAC name is 2,5-dimethyl-4-[(4-nitrophenyl)diazenyl]benzenediazonium.

Molecular Properties

Compound Name2,5-dimethyl-4-[(4-nitrophenyl)diazenyl]benzenediazonium
PubChem CID59112489
Molecular FormulaC14H12N5O2+
Molecular Weight282.28 g/mol
Exact Mass282.10
IUPAC Name2,5-dimethyl-4-[(4-nitrophenyl)diazenyl]benzenediazonium
SMILESCc1cc([N+]#N)c(C)cc1/N=N/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H12N5O2/c1-9-8-14(10(2)7-13(9)16-15)18-17-11-3-5-12(6-4-11)19(20)21/h3-8H,1-2H3/q+1/b18-17+
InChIKeyNWDHBJONRYSTMF-ISLYRVAYSA-N
XLogP5.11
TPSA96.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.28
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', '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

2-methyl-6-[(4-nitrophenyl)diazenyl]phenol
CID 135789847
2-chloro-4-[(4-nitrophenyl)diazenyl]benzenediazonium;hydrogen sulfate
CID 53471226
methyl-(4-nitrophenyl)diazene
CID 20760343
2-[(4-nitrophenyl)diazenyl]aniline
CID 18955864
3-[3-methyl-4-[(4-nitrophenyl)diazenyl]phenyl]pentane-1,5-diol
CID 165036826
(4-nitrophenyl)-phenyldiazene
CID 17222
zinc;bis(2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]benzenediazonium);tetrachloride
CID 170842341
2-[N-(2-hydroxyethyl)-4-[(2-methyl-4-nitrophenyl)diazenyl]anilino]ethanol
CID 71387840
2-[3-methyl-4-[(4-nitrophenyl)diazenyl]-N-propylanilino]ethanol
CID 165108289
4-[(2,4-dinitrophenyl)diazenyl]-2,6-dimethylphenol
CID 136728959
2-[(2-chloro-4-nitrophenyl)diazenyl]-5-methoxy-4-methylbenzenediazonium;hydrogen sulfate
CID 57356757
N,N-dibutyl-4-[(4-nitrophenyl)diazenyl]aniline
CID 2818364

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-[(4-nitrophenyl)diazenyl]benzenediazonium?
The IUPAC name of 2,5-dimethyl-4-[(4-nitrophenyl)diazenyl]benzenediazonium (CID 59112489) is 2,5-dimethyl-4-[(4-nitrophenyl)diazenyl]benzenediazonium.
What is the SMILES notation for 2,5-dimethyl-4-[(4-nitrophenyl)diazenyl]benzenediazonium?
The canonical SMILES for 2,5-dimethyl-4-[(4-nitrophenyl)diazenyl]benzenediazonium is Cc1cc([N+]#N)c(C)cc1/N=N/c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2,5-dimethyl-4-[(4-nitrophenyl)diazenyl]benzenediazonium?
The InChIKey is NWDHBJONRYSTMF-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H12N5O2/c1-9-8-14(10(2)7-13(9)16-15)18-17-11-3-5-12(6-4-11)19(20)21/h3-8H,1-2H3/q+1/b18-17+.
What are the key properties of 2,5-dimethyl-4-[(4-nitrophenyl)diazenyl]benzenediazonium?
2,5-dimethyl-4-[(4-nitrophenyl)diazenyl]benzenediazonium has a molecular weight of 282.28 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-[(4-nitrophenyl)diazenyl]benzenediazonium is sourced from PubChem (CID 59112489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).