(4-bromophenyl)-(2-iodophenyl)diazene

C12H8BrIN2 — CID 142736190

IUPAC(4-bromophenyl)-(2-iodophenyl)diazene
SMILESBrc1ccc(/N=N/c2ccccc2I)cc1
InChIInChI=1S/C12H8BrIN2/c13-9-5-7-10(8-6-9)15-16-12-4-2-1-3-11(12)14/h1-8H/b16-15+
InChIKeyBHRWVHFSZKNPRY-FOCLMDBBSA-N
MW387.02 g/mol
LogP5.47
Rot. Bonds2

About (4-bromophenyl)-(2-iodophenyl)diazene

(4-bromophenyl)-(2-iodophenyl)diazene (PubChem CID 142736190) has the molecular formula C12H8BrIN2 and a molecular weight of 387.02 g/mol. Its IUPAC name is (4-bromophenyl)-(2-iodophenyl)diazene.

Molecular Properties

Compound Name(4-bromophenyl)-(2-iodophenyl)diazene
PubChem CID142736190
Molecular FormulaC12H8BrIN2
Molecular Weight387.02 g/mol
Exact Mass385.89
IUPAC Name(4-bromophenyl)-(2-iodophenyl)diazene
SMILESBrc1ccc(/N=N/c2ccccc2I)cc1
InChIInChI=1S/C12H8BrIN2/c13-9-5-7-10(8-6-9)15-16-12-4-2-1-3-11(12)14/h1-8H/b16-15+
InChIKeyBHRWVHFSZKNPRY-FOCLMDBBSA-N
XLogP5.47
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.02
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(2-iodophenyl)diazene?
The IUPAC name of (4-bromophenyl)-(2-iodophenyl)diazene (CID 142736190) is (4-bromophenyl)-(2-iodophenyl)diazene.
What is the SMILES notation for (4-bromophenyl)-(2-iodophenyl)diazene?
The canonical SMILES for (4-bromophenyl)-(2-iodophenyl)diazene is Brc1ccc(/N=N/c2ccccc2I)cc1.
What is the InChIKey of (4-bromophenyl)-(2-iodophenyl)diazene?
The InChIKey is BHRWVHFSZKNPRY-FOCLMDBBSA-N. The full InChI is InChI=1S/C12H8BrIN2/c13-9-5-7-10(8-6-9)15-16-12-4-2-1-3-11(12)14/h1-8H/b16-15+.
What are the key properties of (4-bromophenyl)-(2-iodophenyl)diazene?
(4-bromophenyl)-(2-iodophenyl)diazene has a molecular weight of 387.02 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(2-iodophenyl)diazene is sourced from PubChem (CID 142736190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).