2-bromo-6-(bromomethyl)naphthalene

C11H8Br2 — CID 19762395

IUPAC2-bromo-6-(bromomethyl)naphthalene
SMILESBrCc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C11H8Br2/c12-7-8-1-2-10-6-11(13)4-3-9(10)5-8/h1-6H,7H2
InChIKeyKNCXTOYNERTOJO-UHFFFAOYSA-N
MW299.99 g/mol
LogP4.50
Rot. Bonds1

About 2-bromo-6-(bromomethyl)naphthalene

2-bromo-6-(bromomethyl)naphthalene (PubChem CID 19762395) has the molecular formula C11H8Br2 and a molecular weight of 299.99 g/mol. Its IUPAC name is 2-bromo-6-(bromomethyl)naphthalene.

Molecular Properties

Compound Name2-bromo-6-(bromomethyl)naphthalene
PubChem CID19762395
Molecular FormulaC11H8Br2
Molecular Weight299.99 g/mol
Exact Mass297.90
IUPAC Name2-bromo-6-(bromomethyl)naphthalene
SMILESBrCc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C11H8Br2/c12-7-8-1-2-10-6-11(13)4-3-9(10)5-8/h1-6H,7H2
InChIKeyKNCXTOYNERTOJO-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.99
LogP ≤ 54.50
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 2-bromo-6-(bromomethyl)naphthalene?
The IUPAC name of 2-bromo-6-(bromomethyl)naphthalene (CID 19762395) is 2-bromo-6-(bromomethyl)naphthalene.
What is the SMILES notation for 2-bromo-6-(bromomethyl)naphthalene?
The canonical SMILES for 2-bromo-6-(bromomethyl)naphthalene is BrCc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 2-bromo-6-(bromomethyl)naphthalene?
The InChIKey is KNCXTOYNERTOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2/c12-7-8-1-2-10-6-11(13)4-3-9(10)5-8/h1-6H,7H2.
What are the key properties of 2-bromo-6-(bromomethyl)naphthalene?
2-bromo-6-(bromomethyl)naphthalene has a molecular weight of 299.99 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(bromomethyl)naphthalene is sourced from PubChem (CID 19762395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).