6-bromo-7-chloro-1,2,3,4-tetrahydroisoquinoline

C9H9BrClN — CID 84705811

IUPAC6-bromo-7-chloro-1,2,3,4-tetrahydroisoquinoline
SMILESClc1cc2c(cc1Br)CCNC2
InChIInChI=1S/C9H9BrClN/c10-8-3-6-1-2-12-5-7(6)4-9(8)11/h3-4,12H,1-2,5H2
InChIKeyXUMVOYPGDISUGG-UHFFFAOYSA-N
MW246.53 g/mol
LogP2.75
Rot. Bonds

About 6-bromo-7-chloro-1,2,3,4-tetrahydroisoquinoline

6-bromo-7-chloro-1,2,3,4-tetrahydroisoquinoline (PubChem CID 84705811) has the molecular formula C9H9BrClN and a molecular weight of 246.53 g/mol. Its IUPAC name is 6-bromo-7-chloro-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-bromo-7-chloro-1,2,3,4-tetrahydroisoquinoline
PubChem CID84705811
Molecular FormulaC9H9BrClN
Molecular Weight246.53 g/mol
Exact Mass244.96
IUPAC Name6-bromo-7-chloro-1,2,3,4-tetrahydroisoquinoline
SMILESClc1cc2c(cc1Br)CCNC2
InChIInChI=1S/C9H9BrClN/c10-8-3-6-1-2-12-5-7(6)4-9(8)11/h3-4,12H,1-2,5H2
InChIKeyXUMVOYPGDISUGG-UHFFFAOYSA-N
XLogP2.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.53
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-Bromo-1,2,3,4-tetrahydroisoquinoline
CID 10729255
7-Chloro-1,2,3,4-tetrahydroisoquinoline
CID 12595069
6-Chloro-1,2,3,4-tetrahydroisoquinoline
CID 11789594
6-Bromo-1,2,3,4-tetrahydroisoquinoline
CID 15885183
7-Bromo-1,2,3,4-tetrahydroisoquinoline hydrochloride
CID 45073969
7-Bromo-8-chloro-1,2,3,4-tetrahydroisoquinoline
CID 21393859
6-Bromo-1,2,3,4-tetrahydroisoquinoline hydrochloride
CID 22570216
5-Bromo-8-chloro-1,2,3,4-tetrahydroisoquinoline
CID 66157491
8-Bromo-5-chloro-1,2,3,4-tetrahydroisoquinoline
CID 66158264
6-Bromo-8-chloro-1,2,3,4-tetrahydroisoquinoline
CID 116488624
7-Bromo-5-chloro-1,2,3,4-tetrahydroisoquinoline
CID 83900075
7-Bromo-5-chloro-1,2,3,4-tetrahydroisoquinoline hydrochloride
CID 137964647

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-chloro-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-bromo-7-chloro-1,2,3,4-tetrahydroisoquinoline (CID 84705811) is 6-bromo-7-chloro-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-bromo-7-chloro-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-bromo-7-chloro-1,2,3,4-tetrahydroisoquinoline is Clc1cc2c(cc1Br)CCNC2.
What is the InChIKey of 6-bromo-7-chloro-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is XUMVOYPGDISUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClN/c10-8-3-6-1-2-12-5-7(6)4-9(8)11/h3-4,12H,1-2,5H2.
What are the key properties of 6-bromo-7-chloro-1,2,3,4-tetrahydroisoquinoline?
6-bromo-7-chloro-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 246.53 g/mol, XLogP of 2.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-chloro-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 84705811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).