1-bromo-2-iodobenzene;molecular nitrogen

C6H4BrIN2 — CID 155706234

IUPAC1-bromo-2-iodobenzene;molecular nitrogen
SMILESBrc1ccccc1I.N#N
InChIInChI=1S/C6H4BrI.N2/c7-5-3-1-2-4-6(5)8;1-2/h1-4H;
InChIKeyMTKNNBAHWJXKQZ-UHFFFAOYSA-N
MW310.92 g/mol
LogP3.08
Rot. Bonds

About 1-bromo-2-iodobenzene;molecular nitrogen

1-bromo-2-iodobenzene;molecular nitrogen (PubChem CID 155706234) has the molecular formula C6H4BrIN2 and a molecular weight of 310.92 g/mol. Its IUPAC name is 1-bromo-2-iodobenzene;molecular nitrogen.

Molecular Properties

Compound Name1-bromo-2-iodobenzene;molecular nitrogen
PubChem CID155706234
Molecular FormulaC6H4BrIN2
Molecular Weight310.92 g/mol
Exact Mass309.86
IUPAC Name1-bromo-2-iodobenzene;molecular nitrogen
SMILESBrc1ccccc1I.N#N
InChIInChI=1S/C6H4BrI.N2/c7-5-3-1-2-4-6(5)8;1-2/h1-4H;
InChIKeyMTKNNBAHWJXKQZ-UHFFFAOYSA-N
XLogP3.08
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.92
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

azane;1-bromo-2-iodobenzene
CID 139491171
1-bromo-2-iodobenzene;1-bromo-4-iodobenzene
CID 159057639
1-bromo-2-[2-(2-iodophenyl)phenyl]benzene
CID 172548371
1,2-diiodobenzene;tetrahydrofluoride
CID 174612997
1-bromo-3-iodo-2-methylsulfonylbenzene
CID 175837376
(2-bromo-6-iodophenyl)-trimethylsilane
CID 11279692
1-bromo-3-iodo-2-nitrobenzene
CID 66891034
2-(2-bromo-6-iodophenyl)propan-2-ol
CID 175668409
2-(2-bromophenyl)-5-[4-[5-(2-iodophenyl)thiophen-2-yl]phenyl]thiophene
CID 139981999
2-iodophenol
CID 10784
1-bromo-2-iodobenzene;2-[4-[4-(2-bromophenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]aniline
CID 158874514
(1E,4E)-1,5-bis(2-bromophenyl)penta-1,4-dien-3-one;(1E,4E)-1,5-bis(2-chlorophenyl)penta-1,4-dien-3-one;(1E,4E)-1,5-bis(2-iodophenyl)penta-1,4-dien-3-one
CID 160658422

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-iodobenzene;molecular nitrogen?
The IUPAC name of 1-bromo-2-iodobenzene;molecular nitrogen (CID 155706234) is 1-bromo-2-iodobenzene;molecular nitrogen.
What is the SMILES notation for 1-bromo-2-iodobenzene;molecular nitrogen?
The canonical SMILES for 1-bromo-2-iodobenzene;molecular nitrogen is Brc1ccccc1I.N#N.
What is the InChIKey of 1-bromo-2-iodobenzene;molecular nitrogen?
The InChIKey is MTKNNBAHWJXKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrI.N2/c7-5-3-1-2-4-6(5)8;1-2/h1-4H;.
What are the key properties of 1-bromo-2-iodobenzene;molecular nitrogen?
1-bromo-2-iodobenzene;molecular nitrogen has a molecular weight of 310.92 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-iodobenzene;molecular nitrogen is sourced from PubChem (CID 155706234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).