1,2,3,4-tetrahydroisoquinolin-6-ol;hydrobromide

C9H12BrNO — CID 13361799

IUPAC1,2,3,4-tetrahydroisoquinolin-6-ol;hydrobromide
SMILESBr.Oc1ccc2c(c1)CCNC2
InChIInChI=1S/C9H11NO.BrH/c11-9-2-1-8-6-10-4-3-7(8)5-9;/h1-2,5,10-11H,3-4,6H2;1H
InChIKeyUSVPGYXADKFDAI-UHFFFAOYSA-N
MW230.10 g/mol
LogP1.62
Rot. Bonds

About 1,2,3,4-tetrahydroisoquinolin-6-ol;hydrobromide

1,2,3,4-tetrahydroisoquinolin-6-ol;hydrobromide (PubChem CID 13361799) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroisoquinolin-6-ol;hydrobromide.

Molecular Properties

Compound Name1,2,3,4-tetrahydroisoquinolin-6-ol;hydrobromide
PubChem CID13361799
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name1,2,3,4-tetrahydroisoquinolin-6-ol;hydrobromide
SMILESBr.Oc1ccc2c(c1)CCNC2
InChIInChI=1S/C9H11NO.BrH/c11-9-2-1-8-6-10-4-3-7(8)5-9;/h1-2,5,10-11H,3-4,6H2;1H
InChIKeyUSVPGYXADKFDAI-UHFFFAOYSA-N
XLogP1.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroisoquinolin-6-ol;hydrobromide?
The IUPAC name of 1,2,3,4-tetrahydroisoquinolin-6-ol;hydrobromide (CID 13361799) is 1,2,3,4-tetrahydroisoquinolin-6-ol;hydrobromide.
What is the SMILES notation for 1,2,3,4-tetrahydroisoquinolin-6-ol;hydrobromide?
The canonical SMILES for 1,2,3,4-tetrahydroisoquinolin-6-ol;hydrobromide is Br.Oc1ccc2c(c1)CCNC2.
What is the InChIKey of 1,2,3,4-tetrahydroisoquinolin-6-ol;hydrobromide?
The InChIKey is USVPGYXADKFDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.BrH/c11-9-2-1-8-6-10-4-3-7(8)5-9;/h1-2,5,10-11H,3-4,6H2;1H.
What are the key properties of 1,2,3,4-tetrahydroisoquinolin-6-ol;hydrobromide?
1,2,3,4-tetrahydroisoquinolin-6-ol;hydrobromide has a molecular weight of 230.10 g/mol, XLogP of 1.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroisoquinolin-6-ol;hydrobromide is sourced from PubChem (CID 13361799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).