5-bromo-1-chloro-2-methylpentane

C6H12BrCl — CID 57210287

IUPAC5-bromo-1-chloro-2-methylpentane
SMILESCC(CCl)CCCBr
InChIInChI=1S/C6H12BrCl/c1-6(5-8)3-2-4-7/h6H,2-5H2,1H3
InChIKeyHIBTZJHBLFPNLP-UHFFFAOYSA-N
MW199.52 g/mol
LogP3.04
Rot. Bonds4

About 5-bromo-1-chloro-2-methylpentane

5-bromo-1-chloro-2-methylpentane (PubChem CID 57210287) has the molecular formula C6H12BrCl and a molecular weight of 199.52 g/mol. Its IUPAC name is 5-bromo-1-chloro-2-methylpentane.

Molecular Properties

Compound Name5-bromo-1-chloro-2-methylpentane
PubChem CID57210287
Molecular FormulaC6H12BrCl
Molecular Weight199.52 g/mol
Exact Mass197.98
IUPAC Name5-bromo-1-chloro-2-methylpentane
SMILESCC(CCl)CCCBr
InChIInChI=1S/C6H12BrCl/c1-6(5-8)3-2-4-7/h6H,2-5H2,1H3
InChIKeyHIBTZJHBLFPNLP-UHFFFAOYSA-N
XLogP3.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.52
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-chloro-2-methylpentane?
The IUPAC name of 5-bromo-1-chloro-2-methylpentane (CID 57210287) is 5-bromo-1-chloro-2-methylpentane.
What is the SMILES notation for 5-bromo-1-chloro-2-methylpentane?
The canonical SMILES for 5-bromo-1-chloro-2-methylpentane is CC(CCl)CCCBr.
What is the InChIKey of 5-bromo-1-chloro-2-methylpentane?
The InChIKey is HIBTZJHBLFPNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrCl/c1-6(5-8)3-2-4-7/h6H,2-5H2,1H3.
What are the key properties of 5-bromo-1-chloro-2-methylpentane?
5-bromo-1-chloro-2-methylpentane has a molecular weight of 199.52 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-chloro-2-methylpentane is sourced from PubChem (CID 57210287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).