azane;1-bromo-2-iodobenzene

C6H7BrIN — CID 139491171

IUPACazane;1-bromo-2-iodobenzene
SMILESBrc1ccccc1I.N
InChIInChI=1S/C6H4BrI.H3N/c7-5-3-1-2-4-6(5)8;/h1-4H;1H3
InChIKeyPADFKDXNFZFREM-UHFFFAOYSA-N
MW299.94 g/mol
LogP3.22
Rot. Bonds

About azane;1-bromo-2-iodobenzene

azane;1-bromo-2-iodobenzene (PubChem CID 139491171) has the molecular formula C6H7BrIN and a molecular weight of 299.94 g/mol. Its IUPAC name is azane;1-bromo-2-iodobenzene.

Molecular Properties

Compound Nameazane;1-bromo-2-iodobenzene
PubChem CID139491171
Molecular FormulaC6H7BrIN
Molecular Weight299.94 g/mol
Exact Mass298.88
IUPAC Nameazane;1-bromo-2-iodobenzene
SMILESBrc1ccccc1I.N
InChIInChI=1S/C6H4BrI.H3N/c7-5-3-1-2-4-6(5)8;/h1-4H;1H3
InChIKeyPADFKDXNFZFREM-UHFFFAOYSA-N
XLogP3.22
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.94
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;1-bromo-2-iodobenzene?
The IUPAC name of azane;1-bromo-2-iodobenzene (CID 139491171) is azane;1-bromo-2-iodobenzene.
What is the SMILES notation for azane;1-bromo-2-iodobenzene?
The canonical SMILES for azane;1-bromo-2-iodobenzene is Brc1ccccc1I.N.
What is the InChIKey of azane;1-bromo-2-iodobenzene?
The InChIKey is PADFKDXNFZFREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrI.H3N/c7-5-3-1-2-4-6(5)8;/h1-4H;1H3.
What are the key properties of azane;1-bromo-2-iodobenzene?
azane;1-bromo-2-iodobenzene has a molecular weight of 299.94 g/mol, XLogP of 3.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-bromo-2-iodobenzene is sourced from PubChem (CID 139491171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).