7-bromo-4-chloroisoquinoline

C9H5BrClN — CID 115044823

IUPAC7-bromo-4-chloroisoquinoline
SMILESClc1cncc2cc(Br)ccc12
InChIInChI=1S/C9H5BrClN/c10-7-1-2-8-6(3-7)4-12-5-9(8)11/h1-5H
InChIKeyBHJHGBLOVBSWOW-UHFFFAOYSA-N
MW242.50 g/mol
LogP3.65
Rot. Bonds

About 7-bromo-4-chloroisoquinoline

7-bromo-4-chloroisoquinoline (PubChem CID 115044823) has the molecular formula C9H5BrClN and a molecular weight of 242.50 g/mol. Its IUPAC name is 7-bromo-4-chloroisoquinoline.

Molecular Properties

Compound Name7-bromo-4-chloroisoquinoline
PubChem CID115044823
Molecular FormulaC9H5BrClN
Molecular Weight242.50 g/mol
Exact Mass240.93
IUPAC Name7-bromo-4-chloroisoquinoline
SMILESClc1cncc2cc(Br)ccc12
InChIInChI=1S/C9H5BrClN/c10-7-1-2-8-6(3-7)4-12-5-9(8)11/h1-5H
InChIKeyBHJHGBLOVBSWOW-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

4-chloroisoquinolin-7-amine
CID 66642706
6-bromo-1,3-dichloronaphthalene
CID 90487701
4-bromo-7-chloroisoquinoline;ethane
CID 167508730
2-bromo-7-chlorophenanthrene
CID 177099004
6-bromo-3-chloroisoquinoline
CID 22607530
7-bromo-4-chloro-2-methylquinoline
CID 17040020
2,6-dibromonaphthalene
CID 640591
1-(4-bromo-2-chlorophenyl)-1-isoquinolin-4-ylethanamine
CID 82778678
4-bromo-2-chloro-N-(isoquinolin-4-ylmethyl)aniline
CID 104503841
2-(4-bromo-2-chlorophenoxy)-6-chloropyrazine
CID 60707984
2-(6-bromonaphthalen-2-yl)oxy-6-chloropyrazine
CID 60707948
6-bromo-2-methylphthalazin-1-one
CID 71562940

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-chloroisoquinoline?
The IUPAC name of 7-bromo-4-chloroisoquinoline (CID 115044823) is 7-bromo-4-chloroisoquinoline.
What is the SMILES notation for 7-bromo-4-chloroisoquinoline?
The canonical SMILES for 7-bromo-4-chloroisoquinoline is Clc1cncc2cc(Br)ccc12.
What is the InChIKey of 7-bromo-4-chloroisoquinoline?
The InChIKey is BHJHGBLOVBSWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClN/c10-7-1-2-8-6(3-7)4-12-5-9(8)11/h1-5H.
What are the key properties of 7-bromo-4-chloroisoquinoline?
7-bromo-4-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 7-bromo-4-chloroisoquinoline is sourced from PubChem (CID 115044823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).