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

C9H10BrN — CID 10729255

IUPAC7-bromo-1,2,3,4-tetrahydroisoquinoline
SMILESBrc1ccc2c(c1)CNCC2
InChIInChI=1S/C9H10BrN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2
InChIKeyOYODEQFZAJVROF-UHFFFAOYSA-N
MW212.09 g/mol
LogP2.09
Rot. Bonds

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

7-bromo-1,2,3,4-tetrahydroisoquinoline (PubChem CID 10729255) has the molecular formula C9H10BrN and a molecular weight of 212.09 g/mol. Its IUPAC name is 7-bromo-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-bromo-1,2,3,4-tetrahydroisoquinoline
PubChem CID10729255
Molecular FormulaC9H10BrN
Molecular Weight212.09 g/mol
Exact Mass211.00
IUPAC Name7-bromo-1,2,3,4-tetrahydroisoquinoline
SMILESBrc1ccc2c(c1)CNCC2
InChIInChI=1S/C9H10BrN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2
InChIKeyOYODEQFZAJVROF-UHFFFAOYSA-N
XLogP2.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.09
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 7-bromo-1,2,3,4-tetrahydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromobicyclo[4.2.0]octa-1(6),2,4-triene
CID 10866980
6-bromo-2,3-dihydro-1H-indole
CID 13098379
2,5-dibromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 114374394
1,2,3,4-tetrahydroisoquinoline-7-thiol;hydrochloride
CID 23336523
N-(4-bromophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 12606928
N-(4-bromophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606929
7-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline
CID 10154309
(4-bromophenyl)methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate
CID 82806181
ethane;7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 143868283
7-methylsulfonyl-1,2,3,4-tetrahydroisoquinoline
CID 23336575
7-prop-1-ynyl-1,2,3,4-tetrahydroisoquinoline
CID 70295509
7-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline
CID 58416433

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-bromo-1,2,3,4-tetrahydroisoquinoline (CID 10729255) is 7-bromo-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-bromo-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-bromo-1,2,3,4-tetrahydroisoquinoline is Brc1ccc2c(c1)CNCC2.
What is the InChIKey of 7-bromo-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is OYODEQFZAJVROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2.
What are the key properties of 7-bromo-1,2,3,4-tetrahydroisoquinoline?
7-bromo-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 212.09 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 10729255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).