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

C9H11BrClN — CID 45073969

IUPAC7-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESBrc1ccc2c(c1)CNCC2.Cl
InChIInChI=1S/C9H10BrN.ClH/c10-9-2-1-7-3-4-11-6-8(7)5-9;/h1-2,5,11H,3-4,6H2;1H
InChIKeyGAQFCKRSCLDDJH-UHFFFAOYSA-N
MW248.55 g/mol
LogP2.52
Rot. Bonds

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

7-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride (PubChem CID 45073969) has the molecular formula C9H11BrClN and a molecular weight of 248.55 g/mol. Its IUPAC name is 7-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name7-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride
PubChem CID45073969
Molecular FormulaC9H11BrClN
Molecular Weight248.55 g/mol
Exact Mass246.98
IUPAC Name7-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESBrc1ccc2c(c1)CNCC2.Cl
InChIInChI=1S/C9H10BrN.ClH/c10-9-2-1-7-3-4-11-6-8(7)5-9;/h1-2,5,11H,3-4,6H2;1H
InChIKeyGAQFCKRSCLDDJH-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.55
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The IUPAC name of 7-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride (CID 45073969) is 7-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride.
What is the SMILES notation for 7-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The canonical SMILES for 7-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride is Brc1ccc2c(c1)CNCC2.Cl.
What is the InChIKey of 7-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The InChIKey is GAQFCKRSCLDDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN.ClH/c10-9-2-1-7-3-4-11-6-8(7)5-9;/h1-2,5,11H,3-4,6H2;1H.
What are the key properties of 7-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
7-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride has a molecular weight of 248.55 g/mol, XLogP of 2.52, 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;hydrochloride is sourced from PubChem (CID 45073969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).