1,8-dibromonaphthalene

C10H6Br2 — CID 625356

IUPAC1,8-dibromonaphthalene
SMILESBrc1cccc2cccc(Br)c12
InChIInChI=1S/C10H6Br2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H
InChIKeyDLXBGTIGAIESIG-UHFFFAOYSA-N
MW285.97 g/mol
LogP4.36
Rot. Bonds

About 1,8-dibromonaphthalene

1,8-dibromonaphthalene (PubChem CID 625356) has the molecular formula C10H6Br2 and a molecular weight of 285.97 g/mol. Its IUPAC name is 1,8-dibromonaphthalene.

Molecular Properties

Compound Name1,8-dibromonaphthalene
PubChem CID625356
Molecular FormulaC10H6Br2
Molecular Weight285.97 g/mol
Exact Mass283.88
IUPAC Name1,8-dibromonaphthalene
SMILESBrc1cccc2cccc(Br)c12
InChIInChI=1S/C10H6Br2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H
InChIKeyDLXBGTIGAIESIG-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.97
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,8-dibromonaphthalene 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 1,8-dibromonaphthalene?
The IUPAC name of 1,8-dibromonaphthalene (CID 625356) is 1,8-dibromonaphthalene.
What is the SMILES notation for 1,8-dibromonaphthalene?
The canonical SMILES for 1,8-dibromonaphthalene is Brc1cccc2cccc(Br)c12.
What is the InChIKey of 1,8-dibromonaphthalene?
The InChIKey is DLXBGTIGAIESIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H.
What are the key properties of 1,8-dibromonaphthalene?
1,8-dibromonaphthalene has a molecular weight of 285.97 g/mol, XLogP of 4.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dibromonaphthalene is sourced from PubChem (CID 625356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).