1-bromo-4-iodobicyclo[2.2.1]heptane

C7H10BrI — CID 14611218

IUPAC1-bromo-4-iodobicyclo[2.2.1]heptane
SMILESBrC12CCC(I)(CC1)C2
InChIInChI=1S/C7H10BrI/c8-6-1-3-7(9,5-6)4-2-6/h1-5H2
InChIKeyNILLIWHYIIOODL-UHFFFAOYSA-N
MW300.97 g/mol
LogP3.27
Rot. Bonds

About 1-bromo-4-iodobicyclo[2.2.1]heptane

1-bromo-4-iodobicyclo[2.2.1]heptane (PubChem CID 14611218) has the molecular formula C7H10BrI and a molecular weight of 300.97 g/mol. Its IUPAC name is 1-bromo-4-iodobicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1-bromo-4-iodobicyclo[2.2.1]heptane
PubChem CID14611218
Molecular FormulaC7H10BrI
Molecular Weight300.97 g/mol
Exact Mass299.90
IUPAC Name1-bromo-4-iodobicyclo[2.2.1]heptane
SMILESBrC12CCC(I)(CC1)C2
InChIInChI=1S/C7H10BrI/c8-6-1-3-7(9,5-6)4-2-6/h1-5H2
InChIKeyNILLIWHYIIOODL-UHFFFAOYSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.97
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-bromobicyclo[3.3.1]nonane-1-carboxylic acid
CID 3119469
4-iodobicyclo[2.2.2]octan-1-amine
CID 86014212
1-bromo-1-(iodomethyl)cyclobutane
CID 91694340
4,4-diiodooxane
CID 138563806
1-bromo-3-fluorobicyclo[1.1.1]pentane
CID 15759506
1,6-diiodobicyclo[4.1.0]heptane
CID 15105130
2-[4-(1-bromocyclopropyl)butyl]-1,3-dioxolane
CID 67586589
1-bromocyclopropan-1-ol
CID 84762478
3,5,7-tribromo-1-azatricyclo[3.3.1.13,7]decane
CID 535493
2,2-dibromospiro[2.5]octane
CID 13462187
1,1-dibromo-2,2-bis(chloromethyl)cyclopropane
CID 534192
(1R,2R,6R,8S,9S,11R)-6,8,9,11-tetrabromopentacyclo[9.3.1.12,6.01,9.02,8]hexadecane
CID 10602322

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-iodobicyclo[2.2.1]heptane?
The IUPAC name of 1-bromo-4-iodobicyclo[2.2.1]heptane (CID 14611218) is 1-bromo-4-iodobicyclo[2.2.1]heptane.
What is the SMILES notation for 1-bromo-4-iodobicyclo[2.2.1]heptane?
The canonical SMILES for 1-bromo-4-iodobicyclo[2.2.1]heptane is BrC12CCC(I)(CC1)C2.
What is the InChIKey of 1-bromo-4-iodobicyclo[2.2.1]heptane?
The InChIKey is NILLIWHYIIOODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrI/c8-6-1-3-7(9,5-6)4-2-6/h1-5H2.
What are the key properties of 1-bromo-4-iodobicyclo[2.2.1]heptane?
1-bromo-4-iodobicyclo[2.2.1]heptane has a molecular weight of 300.97 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-iodobicyclo[2.2.1]heptane is sourced from PubChem (CID 14611218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).