6-bromo-1,3-dichloronaphthalene

C10H5BrCl2 — CID 90487701

IUPAC6-bromo-1,3-dichloronaphthalene
SMILESClc1cc(Cl)c2ccc(Br)cc2c1
InChIInChI=1S/C10H5BrCl2/c11-7-1-2-9-6(3-7)4-8(12)5-10(9)13/h1-5H
InChIKeyJLMKWZBGKJHAGT-UHFFFAOYSA-N
MW275.96 g/mol
LogP4.91
Rot. Bonds

About 6-bromo-1,3-dichloronaphthalene

6-bromo-1,3-dichloronaphthalene (PubChem CID 90487701) has the molecular formula C10H5BrCl2 and a molecular weight of 275.96 g/mol. Its IUPAC name is 6-bromo-1,3-dichloronaphthalene.

Molecular Properties

Compound Name6-bromo-1,3-dichloronaphthalene
PubChem CID90487701
Molecular FormulaC10H5BrCl2
Molecular Weight275.96 g/mol
Exact Mass273.90
IUPAC Name6-bromo-1,3-dichloronaphthalene
SMILESClc1cc(Cl)c2ccc(Br)cc2c1
InChIInChI=1S/C10H5BrCl2/c11-7-1-2-9-6(3-7)4-8(12)5-10(9)13/h1-5H
InChIKeyJLMKWZBGKJHAGT-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.96
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,3-dichloronaphthalene?
The IUPAC name of 6-bromo-1,3-dichloronaphthalene (CID 90487701) is 6-bromo-1,3-dichloronaphthalene.
What is the SMILES notation for 6-bromo-1,3-dichloronaphthalene?
The canonical SMILES for 6-bromo-1,3-dichloronaphthalene is Clc1cc(Cl)c2ccc(Br)cc2c1.
What is the InChIKey of 6-bromo-1,3-dichloronaphthalene?
The InChIKey is JLMKWZBGKJHAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrCl2/c11-7-1-2-9-6(3-7)4-8(12)5-10(9)13/h1-5H.
What are the key properties of 6-bromo-1,3-dichloronaphthalene?
6-bromo-1,3-dichloronaphthalene has a molecular weight of 275.96 g/mol, XLogP of 4.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,3-dichloronaphthalene is sourced from PubChem (CID 90487701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).