6-bromo-8-chloroquinoline

C9H5BrClN — CID 46739616

IUPAC6-bromo-8-chloroquinoline
SMILESClc1cc(Br)cc2cccnc12
InChIInChI=1S/C9H5BrClN/c10-7-4-6-2-1-3-12-9(6)8(11)5-7/h1-5H
InChIKeyBDEUOIMCEVFYET-UHFFFAOYSA-N
MW242.50 g/mol
LogP3.65
Rot. Bonds

About 6-bromo-8-chloroquinoline

6-bromo-8-chloroquinoline (PubChem CID 46739616) has the molecular formula C9H5BrClN and a molecular weight of 242.50 g/mol. Its IUPAC name is 6-bromo-8-chloroquinoline.

Molecular Properties

Compound Name6-bromo-8-chloroquinoline
PubChem CID46739616
Molecular FormulaC9H5BrClN
Molecular Weight242.50 g/mol
Exact Mass240.93
IUPAC Name6-bromo-8-chloroquinoline
SMILESClc1cc(Br)cc2cccnc12
InChIInChI=1S/C9H5BrClN/c10-7-4-6-2-1-3-12-9(6)8(11)5-7/h1-5H
InChIKeyBDEUOIMCEVFYET-UHFFFAOYSA-N
XLogP3.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.50
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-chloroquinoline?
The IUPAC name of 6-bromo-8-chloroquinoline (CID 46739616) is 6-bromo-8-chloroquinoline.
What is the SMILES notation for 6-bromo-8-chloroquinoline?
The canonical SMILES for 6-bromo-8-chloroquinoline is Clc1cc(Br)cc2cccnc12.
What is the InChIKey of 6-bromo-8-chloroquinoline?
The InChIKey is BDEUOIMCEVFYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClN/c10-7-4-6-2-1-3-12-9(6)8(11)5-7/h1-5H.
What are the key properties of 6-bromo-8-chloroquinoline?
6-bromo-8-chloroquinoline has a molecular weight of 242.50 g/mol, XLogP of 3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-chloroquinoline is sourced from PubChem (CID 46739616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).