bromomethane;1-(3-bromopropyl)-2-iodobenzene

C10H13Br2I — CID 123156710

IUPACbromomethane;1-(3-bromopropyl)-2-iodobenzene
SMILESBrCCCc1ccccc1I.CBr
InChIInChI=1S/C9H10BrI.CH3Br/c10-7-3-5-8-4-1-2-6-9(8)11;1-2/h1-2,4,6H,3,5,7H2;1H3
InChIKeyHWAGFAKKVGMOGF-UHFFFAOYSA-N
MW419.93 g/mol
LogP4.63
Rot. Bonds3

About bromomethane;1-(3-bromopropyl)-2-iodobenzene

bromomethane;1-(3-bromopropyl)-2-iodobenzene (PubChem CID 123156710) has the molecular formula C10H13Br2I and a molecular weight of 419.93 g/mol. Its IUPAC name is bromomethane;1-(3-bromopropyl)-2-iodobenzene.

Molecular Properties

Compound Namebromomethane;1-(3-bromopropyl)-2-iodobenzene
PubChem CID123156710
Molecular FormulaC10H13Br2I
Molecular Weight419.93 g/mol
Exact Mass417.84
IUPAC Namebromomethane;1-(3-bromopropyl)-2-iodobenzene
SMILESBrCCCc1ccccc1I.CBr
InChIInChI=1S/C9H10BrI.CH3Br/c10-7-3-5-8-4-1-2-6-9(8)11;1-2/h1-2,4,6H,3,5,7H2;1H3
InChIKeyHWAGFAKKVGMOGF-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.93
LogP ≤ 54.63
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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Frequently Asked Questions

What is the IUPAC name of bromomethane;1-(3-bromopropyl)-2-iodobenzene?
The IUPAC name of bromomethane;1-(3-bromopropyl)-2-iodobenzene (CID 123156710) is bromomethane;1-(3-bromopropyl)-2-iodobenzene.
What is the SMILES notation for bromomethane;1-(3-bromopropyl)-2-iodobenzene?
The canonical SMILES for bromomethane;1-(3-bromopropyl)-2-iodobenzene is BrCCCc1ccccc1I.CBr.
What is the InChIKey of bromomethane;1-(3-bromopropyl)-2-iodobenzene?
The InChIKey is HWAGFAKKVGMOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrI.CH3Br/c10-7-3-5-8-4-1-2-6-9(8)11;1-2/h1-2,4,6H,3,5,7H2;1H3.
What are the key properties of bromomethane;1-(3-bromopropyl)-2-iodobenzene?
bromomethane;1-(3-bromopropyl)-2-iodobenzene has a molecular weight of 419.93 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethane;1-(3-bromopropyl)-2-iodobenzene is sourced from PubChem (CID 123156710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).