4-bromo-8-chloro-2,6-dimethylquinoline

C11H9BrClN — CID 39346163

IUPAC4-bromo-8-chloro-2,6-dimethylquinoline
SMILESCc1cc(Cl)c2nc(C)cc(Br)c2c1
InChIInChI=1S/C11H9BrClN/c1-6-3-8-9(12)5-7(2)14-11(8)10(13)4-6/h3-5H,1-2H3
InChIKeyBSNZKNDQORFNPX-UHFFFAOYSA-N
MW270.56 g/mol
LogP4.27
Rot. Bonds

About 4-bromo-8-chloro-2,6-dimethylquinoline

4-bromo-8-chloro-2,6-dimethylquinoline (PubChem CID 39346163) has the molecular formula C11H9BrClN and a molecular weight of 270.56 g/mol. Its IUPAC name is 4-bromo-8-chloro-2,6-dimethylquinoline.

Molecular Properties

Compound Name4-bromo-8-chloro-2,6-dimethylquinoline
PubChem CID39346163
Molecular FormulaC11H9BrClN
Molecular Weight270.56 g/mol
Exact Mass268.96
IUPAC Name4-bromo-8-chloro-2,6-dimethylquinoline
SMILESCc1cc(Cl)c2nc(C)cc(Br)c2c1
InChIInChI=1S/C11H9BrClN/c1-6-3-8-9(12)5-7(2)14-11(8)10(13)4-6/h3-5H,1-2H3
InChIKeyBSNZKNDQORFNPX-UHFFFAOYSA-N
XLogP4.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.56
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-8-chloro-2,6-dimethylquinoline?
The IUPAC name of 4-bromo-8-chloro-2,6-dimethylquinoline (CID 39346163) is 4-bromo-8-chloro-2,6-dimethylquinoline.
What is the SMILES notation for 4-bromo-8-chloro-2,6-dimethylquinoline?
The canonical SMILES for 4-bromo-8-chloro-2,6-dimethylquinoline is Cc1cc(Cl)c2nc(C)cc(Br)c2c1.
What is the InChIKey of 4-bromo-8-chloro-2,6-dimethylquinoline?
The InChIKey is BSNZKNDQORFNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN/c1-6-3-8-9(12)5-7(2)14-11(8)10(13)4-6/h3-5H,1-2H3.
What are the key properties of 4-bromo-8-chloro-2,6-dimethylquinoline?
4-bromo-8-chloro-2,6-dimethylquinoline has a molecular weight of 270.56 g/mol, XLogP of 4.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-8-chloro-2,6-dimethylquinoline is sourced from PubChem (CID 39346163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).