(2-bromophenyl)-(2-methyl-1H-indol-3-yl)diazene

C15H12BrN3 — CID 135851037

IUPAC(2-bromophenyl)-(2-methyl-1H-indol-3-yl)diazene
SMILESCc1[nH]c2ccccc2c1/N=N/c1ccccc1Br
InChIInChI=1S/C15H12BrN3/c1-10-15(11-6-2-4-8-13(11)17-10)19-18-14-9-5-3-7-12(14)16/h2-9,17H,1H3/b19-18+
InChIKeyMZPPFXFWYVTEQG-VHEBQXMUSA-N
MW314.19 g/mol
LogP5.65
Rot. Bonds2

About (2-bromophenyl)-(2-methyl-1H-indol-3-yl)diazene

(2-bromophenyl)-(2-methyl-1H-indol-3-yl)diazene (PubChem CID 135851037) has the molecular formula C15H12BrN3 and a molecular weight of 314.19 g/mol. Its IUPAC name is (2-bromophenyl)-(2-methyl-1H-indol-3-yl)diazene.

Molecular Properties

Compound Name(2-bromophenyl)-(2-methyl-1H-indol-3-yl)diazene
PubChem CID135851037
Molecular FormulaC15H12BrN3
Molecular Weight314.19 g/mol
Exact Mass313.02
IUPAC Name(2-bromophenyl)-(2-methyl-1H-indol-3-yl)diazene
SMILESCc1[nH]c2ccccc2c1/N=N/c1ccccc1Br
InChIInChI=1S/C15H12BrN3/c1-10-15(11-6-2-4-8-13(11)17-10)19-18-14-9-5-3-7-12(14)16/h2-9,17H,1H3/b19-18+
InChIKeyMZPPFXFWYVTEQG-VHEBQXMUSA-N
XLogP5.65
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.19
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-methyl-1H-indol-3-yl)-(2-nitrophenyl)diazene
CID 135645807
(2-chloro-6-methylphenyl)-(2-methyl-1H-indol-3-yl)diazene
CID 154722811
(4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)diazene
CID 2852535
(2-methyl-1H-indol-3-yl)-(4-phenyl-1,3-thiazol-2-yl)diazene
CID 137234432
(2-bromophenyl)-naphthalen-1-yldiazene
CID 581691
[(3R)-2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl]-(2-methyl-1H-indol-3-yl)diazene
CID 136877648
[(3S)-2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl]-(2-methyl-1H-indol-3-yl)diazene
CID 136828025
3-[(6-bromo-2-methylquinolin-4-yl)diazenyl]-1H-indol-2-ol
CID 3386737
2,3-dimethyl-1H-indole;molecular hydrogen
CID 142083168
3-[(5-chloro-2-methylphenyl)diazenyl]-1H-indol-2-ol
CID 136860025
bromomethane;9H-carbazole
CID 67594562
2-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid
CID 3784946

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(2-methyl-1H-indol-3-yl)diazene?
The IUPAC name of (2-bromophenyl)-(2-methyl-1H-indol-3-yl)diazene (CID 135851037) is (2-bromophenyl)-(2-methyl-1H-indol-3-yl)diazene.
What is the SMILES notation for (2-bromophenyl)-(2-methyl-1H-indol-3-yl)diazene?
The canonical SMILES for (2-bromophenyl)-(2-methyl-1H-indol-3-yl)diazene is Cc1[nH]c2ccccc2c1/N=N/c1ccccc1Br.
What is the InChIKey of (2-bromophenyl)-(2-methyl-1H-indol-3-yl)diazene?
The InChIKey is MZPPFXFWYVTEQG-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H12BrN3/c1-10-15(11-6-2-4-8-13(11)17-10)19-18-14-9-5-3-7-12(14)16/h2-9,17H,1H3/b19-18+.
What are the key properties of (2-bromophenyl)-(2-methyl-1H-indol-3-yl)diazene?
(2-bromophenyl)-(2-methyl-1H-indol-3-yl)diazene has a molecular weight of 314.19 g/mol, XLogP of 5.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(2-methyl-1H-indol-3-yl)diazene is sourced from PubChem (CID 135851037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).