6-bromo-5-chloroisoquinoline

C9H5BrClN — CID 58433034

IUPAC6-bromo-5-chloroisoquinoline
SMILESClc1c(Br)ccc2cnccc12
InChIInChI=1S/C9H5BrClN/c10-8-2-1-6-5-12-4-3-7(6)9(8)11/h1-5H
InChIKeyBQQSVSKUSSGCQX-UHFFFAOYSA-N
MW242.50 g/mol
LogP3.65
Rot. Bonds

About 6-bromo-5-chloroisoquinoline

6-bromo-5-chloroisoquinoline (PubChem CID 58433034) has the molecular formula C9H5BrClN and a molecular weight of 242.50 g/mol. Its IUPAC name is 6-bromo-5-chloroisoquinoline.

Molecular Properties

Compound Name6-bromo-5-chloroisoquinoline
PubChem CID58433034
Molecular FormulaC9H5BrClN
Molecular Weight242.50 g/mol
Exact Mass240.93
IUPAC Name6-bromo-5-chloroisoquinoline
SMILESClc1c(Br)ccc2cnccc12
InChIInChI=1S/C9H5BrClN/c10-8-2-1-6-5-12-4-3-7(6)9(8)11/h1-5H
InChIKeyBQQSVSKUSSGCQX-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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Related Compounds

3,8-phenanthroline
CID 13064691
6-bromo-5-chloroisoquinolin-7-amine
CID 166475814
6-bromo-5-nitroisoquinoline
CID 34176644
1-(6-bromoisoquinolin-5-yl)ethanone
CID 115046649
[(3-bromo-2-chlorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303094
(6-chloroisoquinolin-5-yl)methanamine
CID 82573572
6-chloroisoquinolin-5-ol
CID 115015519
6-chloroisoquinoline-5-carboxylic acid
CID 82574726
1-chloro-3-(5-chloroisoquinolin-6-yl)propan-2-one
CID 58367619
6-N-(2-bromo-4-chlorophenyl)isoquinoline-5,6-diamine
CID 106948288
5-bromo-8-chloro-7-methylisoquinoline
CID 125427065
6-chloro-5-nitroisoquinoline
CID 19027803

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-chloroisoquinoline?
The IUPAC name of 6-bromo-5-chloroisoquinoline (CID 58433034) is 6-bromo-5-chloroisoquinoline.
What is the SMILES notation for 6-bromo-5-chloroisoquinoline?
The canonical SMILES for 6-bromo-5-chloroisoquinoline is Clc1c(Br)ccc2cnccc12.
What is the InChIKey of 6-bromo-5-chloroisoquinoline?
The InChIKey is BQQSVSKUSSGCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClN/c10-8-2-1-6-5-12-4-3-7(6)9(8)11/h1-5H.
What are the key properties of 6-bromo-5-chloroisoquinoline?
6-bromo-5-chloroisoquinoline 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-5-chloroisoquinoline is sourced from PubChem (CID 58433034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).