(3-bromophenyl)-(2-iodophenyl)diazene

C12H8BrIN2 — CID 142736144

IUPAC(3-bromophenyl)-(2-iodophenyl)diazene
SMILESBrc1cccc(/N=N/c2ccccc2I)c1
InChIInChI=1S/C12H8BrIN2/c13-9-4-3-5-10(8-9)15-16-12-7-2-1-6-11(12)14/h1-8H/b16-15+
InChIKeyFPUSTIJLGQCSJQ-FOCLMDBBSA-N
MW387.02 g/mol
LogP5.47
Rot. Bonds2

About (3-bromophenyl)-(2-iodophenyl)diazene

(3-bromophenyl)-(2-iodophenyl)diazene (PubChem CID 142736144) has the molecular formula C12H8BrIN2 and a molecular weight of 387.02 g/mol. Its IUPAC name is (3-bromophenyl)-(2-iodophenyl)diazene.

Molecular Properties

Compound Name(3-bromophenyl)-(2-iodophenyl)diazene
PubChem CID142736144
Molecular FormulaC12H8BrIN2
Molecular Weight387.02 g/mol
Exact Mass385.89
IUPAC Name(3-bromophenyl)-(2-iodophenyl)diazene
SMILESBrc1cccc(/N=N/c2ccccc2I)c1
InChIInChI=1S/C12H8BrIN2/c13-9-4-3-5-10(8-9)15-16-12-7-2-1-6-11(12)14/h1-8H/b16-15+
InChIKeyFPUSTIJLGQCSJQ-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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Related Compounds

(4-bromophenyl)-(2-iodophenyl)diazene
CID 142736190
(3-bromophenyl)-(2-methylphenyl)diazene
CID 563793
(3-chlorophenyl)-(2-iodophenyl)diazene
CID 142736178
4-[(3-bromophenyl)diazenyl]naphthalen-2-ol
CID 21238074
(3-bromophenyl)-[4-(trifluoromethyl)phenyl]diazene
CID 86246481
(3-iodophenyl)-naphthalen-1-yldiazene
CID 132533459
(3-bromophenyl)-(4-nitrophenyl)diazene
CID 71382481
CID 91391483
CID 91391483
N-(3-bromophenyl)iminomethanesulfonamide
CID 162405145
(2,3-dibromophenyl)-phenyldiazene
CID 54332130
5-[(3-bromophenyl)diazenyl]-4-phenyl-1,3-thiazol-2-amine
CID 4194807
1,3-dibromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
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Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(2-iodophenyl)diazene?
The IUPAC name of (3-bromophenyl)-(2-iodophenyl)diazene (CID 142736144) is (3-bromophenyl)-(2-iodophenyl)diazene.
What is the SMILES notation for (3-bromophenyl)-(2-iodophenyl)diazene?
The canonical SMILES for (3-bromophenyl)-(2-iodophenyl)diazene is Brc1cccc(/N=N/c2ccccc2I)c1.
What is the InChIKey of (3-bromophenyl)-(2-iodophenyl)diazene?
The InChIKey is FPUSTIJLGQCSJQ-FOCLMDBBSA-N. The full InChI is InChI=1S/C12H8BrIN2/c13-9-4-3-5-10(8-9)15-16-12-7-2-1-6-11(12)14/h1-8H/b16-15+.
What are the key properties of (3-bromophenyl)-(2-iodophenyl)diazene?
(3-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 (3-bromophenyl)-(2-iodophenyl)diazene is sourced from PubChem (CID 142736144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).