1-bromo-2-(bromomethyl)-8-chloronaphthalene

C11H7Br2Cl — CID 170693796

IUPAC1-bromo-2-(bromomethyl)-8-chloronaphthalene
SMILESClc1cccc2ccc(CBr)c(Br)c12
InChIInChI=1S/C11H7Br2Cl/c12-6-8-5-4-7-2-1-3-9(14)10(7)11(8)13/h1-5H,6H2
InChIKeyIXIUWPJIQNTVBG-UHFFFAOYSA-N
MW334.44 g/mol
LogP5.15
Rot. Bonds1

About 1-bromo-2-(bromomethyl)-8-chloronaphthalene

1-bromo-2-(bromomethyl)-8-chloronaphthalene (PubChem CID 170693796) has the molecular formula C11H7Br2Cl and a molecular weight of 334.44 g/mol. Its IUPAC name is 1-bromo-2-(bromomethyl)-8-chloronaphthalene.

Molecular Properties

Compound Name1-bromo-2-(bromomethyl)-8-chloronaphthalene
PubChem CID170693796
Molecular FormulaC11H7Br2Cl
Molecular Weight334.44 g/mol
Exact Mass331.86
IUPAC Name1-bromo-2-(bromomethyl)-8-chloronaphthalene
SMILESClc1cccc2ccc(CBr)c(Br)c12
InChIInChI=1S/C11H7Br2Cl/c12-6-8-5-4-7-2-1-3-9(14)10(7)11(8)13/h1-5H,6H2
InChIKeyIXIUWPJIQNTVBG-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.44
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-bromo-2-(bromomethyl)-8-chloronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(bromomethyl)-8-chloronaphthalene?
The IUPAC name of 1-bromo-2-(bromomethyl)-8-chloronaphthalene (CID 170693796) is 1-bromo-2-(bromomethyl)-8-chloronaphthalene.
What is the SMILES notation for 1-bromo-2-(bromomethyl)-8-chloronaphthalene?
The canonical SMILES for 1-bromo-2-(bromomethyl)-8-chloronaphthalene is Clc1cccc2ccc(CBr)c(Br)c12.
What is the InChIKey of 1-bromo-2-(bromomethyl)-8-chloronaphthalene?
The InChIKey is IXIUWPJIQNTVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2Cl/c12-6-8-5-4-7-2-1-3-9(14)10(7)11(8)13/h1-5H,6H2.
What are the key properties of 1-bromo-2-(bromomethyl)-8-chloronaphthalene?
1-bromo-2-(bromomethyl)-8-chloronaphthalene has a molecular weight of 334.44 g/mol, XLogP of 5.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(bromomethyl)-8-chloronaphthalene is sourced from PubChem (CID 170693796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).