2-bromo-1-cyclopropyl-4-iodobenzene

C9H8BrI — CID 12509358

IUPAC2-bromo-1-cyclopropyl-4-iodobenzene
SMILESBrc1cc(I)ccc1C1CC1
InChIInChI=1S/C9H8BrI/c10-9-5-7(11)3-4-8(9)6-1-2-6/h3-6H,1-2H2
InChIKeyQAXMAJSCPZWYSO-UHFFFAOYSA-N
MW322.97 g/mol
LogP3.93
Rot. Bonds1

About 2-bromo-1-cyclopropyl-4-iodobenzene

2-bromo-1-cyclopropyl-4-iodobenzene (PubChem CID 12509358) has the molecular formula C9H8BrI and a molecular weight of 322.97 g/mol. Its IUPAC name is 2-bromo-1-cyclopropyl-4-iodobenzene.

Molecular Properties

Compound Name2-bromo-1-cyclopropyl-4-iodobenzene
PubChem CID12509358
Molecular FormulaC9H8BrI
Molecular Weight322.97 g/mol
Exact Mass321.89
IUPAC Name2-bromo-1-cyclopropyl-4-iodobenzene
SMILESBrc1cc(I)ccc1C1CC1
InChIInChI=1S/C9H8BrI/c10-9-5-7(11)3-4-8(9)6-1-2-6/h3-6H,1-2H2
InChIKeyQAXMAJSCPZWYSO-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.97
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-cyclopropyl-4-iodobenzene?
The IUPAC name of 2-bromo-1-cyclopropyl-4-iodobenzene (CID 12509358) is 2-bromo-1-cyclopropyl-4-iodobenzene.
What is the SMILES notation for 2-bromo-1-cyclopropyl-4-iodobenzene?
The canonical SMILES for 2-bromo-1-cyclopropyl-4-iodobenzene is Brc1cc(I)ccc1C1CC1.
What is the InChIKey of 2-bromo-1-cyclopropyl-4-iodobenzene?
The InChIKey is QAXMAJSCPZWYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrI/c10-9-5-7(11)3-4-8(9)6-1-2-6/h3-6H,1-2H2.
What are the key properties of 2-bromo-1-cyclopropyl-4-iodobenzene?
2-bromo-1-cyclopropyl-4-iodobenzene has a molecular weight of 322.97 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-cyclopropyl-4-iodobenzene is sourced from PubChem (CID 12509358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).