1-bromo-5-iodopentane

C5H10BrI — CID 13185398

IUPAC1-bromo-5-iodopentane
SMILESBrCCCCCI
InChIInChI=1S/C5H10BrI/c6-4-2-1-3-5-7/h1-5H2
InChIKeyFWDOLPSHUHIDGX-UHFFFAOYSA-N
MW276.94 g/mol
LogP2.99
Rot. Bonds4

About 1-bromo-5-iodopentane

1-bromo-5-iodopentane (PubChem CID 13185398) has the molecular formula C5H10BrI and a molecular weight of 276.94 g/mol. Its IUPAC name is 1-bromo-5-iodopentane.

Molecular Properties

Compound Name1-bromo-5-iodopentane
PubChem CID13185398
Molecular FormulaC5H10BrI
Molecular Weight276.94 g/mol
Exact Mass275.90
IUPAC Name1-bromo-5-iodopentane
SMILESBrCCCCCI
InChIInChI=1S/C5H10BrI/c6-4-2-1-3-5-7/h1-5H2
InChIKeyFWDOLPSHUHIDGX-UHFFFAOYSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.94
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-iodopentane?
The IUPAC name of 1-bromo-5-iodopentane (CID 13185398) is 1-bromo-5-iodopentane.
What is the SMILES notation for 1-bromo-5-iodopentane?
The canonical SMILES for 1-bromo-5-iodopentane is BrCCCCCI.
What is the InChIKey of 1-bromo-5-iodopentane?
The InChIKey is FWDOLPSHUHIDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BrI/c6-4-2-1-3-5-7/h1-5H2.
What are the key properties of 1-bromo-5-iodopentane?
1-bromo-5-iodopentane has a molecular weight of 276.94 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-iodopentane is sourced from PubChem (CID 13185398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).