4-[(2,6-dibromo-4-nitrophenyl)diazenyl]-N-ethylaniline

C14H12Br2N4O2 — CID 122650846

IUPAC4-[(2,6-dibromo-4-nitrophenyl)diazenyl]-N-ethylaniline
SMILESCCNc1ccc(/N=N/c2c(Br)cc([N+](=O)[O-])cc2Br)cc1
InChIInChI=1S/C14H12Br2N4O2/c1-2-17-9-3-5-10(6-4-9)18-19-14-12(15)7-11(20(21)22)8-13(14)16/h3-8,17H,2H2,1H3/b19-18+
InChIKeyIUYFGOUORPLWAM-VHEBQXMUSA-N
MW428.08 g/mol
LogP5.97
Rot. Bonds5

About 4-[(2,6-dibromo-4-nitrophenyl)diazenyl]-N-ethylaniline

4-[(2,6-dibromo-4-nitrophenyl)diazenyl]-N-ethylaniline (PubChem CID 122650846) has the molecular formula C14H12Br2N4O2 and a molecular weight of 428.08 g/mol. Its IUPAC name is 4-[(2,6-dibromo-4-nitrophenyl)diazenyl]-N-ethylaniline.

Molecular Properties

Compound Name4-[(2,6-dibromo-4-nitrophenyl)diazenyl]-N-ethylaniline
PubChem CID122650846
Molecular FormulaC14H12Br2N4O2
Molecular Weight428.08 g/mol
Exact Mass425.93
IUPAC Name4-[(2,6-dibromo-4-nitrophenyl)diazenyl]-N-ethylaniline
SMILESCCNc1ccc(/N=N/c2c(Br)cc([N+](=O)[O-])cc2Br)cc1
InChIInChI=1S/C14H12Br2N4O2/c1-2-17-9-3-5-10(6-4-9)18-19-14-12(15)7-11(20(21)22)8-13(14)16/h3-8,17H,2H2,1H3/b19-18+
InChIKeyIUYFGOUORPLWAM-VHEBQXMUSA-N
XLogP5.97
TPSA79.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.08
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-[4-[(2,6-dibromo-4-nitrophenyl)diazenyl]-N-ethylanilino]ethanol
CID 141406177
N-ethyl-4-[2-(4-nitrophenyl)hydrazinyl]aniline
CID 142912922
N-ethylaniline;2,4,6-trinitrophenol
CID 121004377
4-(ethylamino)-N-(4-nitrophenyl)benzamide
CID 62165605
2,6-dibromo-4-[(4-nitrophenyl)diazenyl]phenol
CID 135612765
1-[4-[[4-[[4-(ethylamino)phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone
CID 134216733
1-[4-[(4-nitrophenyl)diazenyl]anilino]-N-[4-[(4-nitrophenyl)diazenyl]phenyl]methanesulfonamide
CID 58743491
N-iodo-4-[(4-nitrophenyl)diazenyl]aniline
CID 145350386
(3-bromophenyl)-(4-nitrophenyl)diazene
CID 71382481
3-N-(3,4-dimethylphenyl)-1-N-ethyl-5-nitrobenzene-1,3-diamine
CID 80729876
3-N-(4-bromo-2-methylphenyl)-1-N-ethyl-5-nitrobenzene-1,3-diamine
CID 80748621
4-[(3,4-dinitrophenyl)diazenyl]-N-docosylaniline
CID 88517615

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dibromo-4-nitrophenyl)diazenyl]-N-ethylaniline?
The IUPAC name of 4-[(2,6-dibromo-4-nitrophenyl)diazenyl]-N-ethylaniline (CID 122650846) is 4-[(2,6-dibromo-4-nitrophenyl)diazenyl]-N-ethylaniline.
What is the SMILES notation for 4-[(2,6-dibromo-4-nitrophenyl)diazenyl]-N-ethylaniline?
The canonical SMILES for 4-[(2,6-dibromo-4-nitrophenyl)diazenyl]-N-ethylaniline is CCNc1ccc(/N=N/c2c(Br)cc([N+](=O)[O-])cc2Br)cc1.
What is the InChIKey of 4-[(2,6-dibromo-4-nitrophenyl)diazenyl]-N-ethylaniline?
The InChIKey is IUYFGOUORPLWAM-VHEBQXMUSA-N. The full InChI is InChI=1S/C14H12Br2N4O2/c1-2-17-9-3-5-10(6-4-9)18-19-14-12(15)7-11(20(21)22)8-13(14)16/h3-8,17H,2H2,1H3/b19-18+.
What are the key properties of 4-[(2,6-dibromo-4-nitrophenyl)diazenyl]-N-ethylaniline?
4-[(2,6-dibromo-4-nitrophenyl)diazenyl]-N-ethylaniline has a molecular weight of 428.08 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dibromo-4-nitrophenyl)diazenyl]-N-ethylaniline is sourced from PubChem (CID 122650846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).