7-bromo-1,2,3,4-tetrahydroisoquinolin-5-ol

C9H10BrNO — CID 84691706

IUPAC7-bromo-1,2,3,4-tetrahydroisoquinolin-5-ol
SMILESOc1cc(Br)cc2c1CCNC2
InChIInChI=1S/C9H10BrNO/c10-7-3-6-5-11-2-1-8(6)9(12)4-7/h3-4,11-12H,1-2,5H2
InChIKeyQAICYQFJGYEBLI-UHFFFAOYSA-N
MW228.09 g/mol
LogP1.80
Rot. Bonds

About 7-bromo-1,2,3,4-tetrahydroisoquinolin-5-ol

7-bromo-1,2,3,4-tetrahydroisoquinolin-5-ol (PubChem CID 84691706) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is 7-bromo-1,2,3,4-tetrahydroisoquinolin-5-ol.

Molecular Properties

Compound Name7-bromo-1,2,3,4-tetrahydroisoquinolin-5-ol
PubChem CID84691706
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name7-bromo-1,2,3,4-tetrahydroisoquinolin-5-ol
SMILESOc1cc(Br)cc2c1CCNC2
InChIInChI=1S/C9H10BrNO/c10-7-3-6-5-11-2-1-8(6)9(12)4-7/h3-4,11-12H,1-2,5H2
InChIKeyQAICYQFJGYEBLI-UHFFFAOYSA-N
XLogP1.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1,2,3,4-tetrahydroisoquinolin-5-ol?
The IUPAC name of 7-bromo-1,2,3,4-tetrahydroisoquinolin-5-ol (CID 84691706) is 7-bromo-1,2,3,4-tetrahydroisoquinolin-5-ol.
What is the SMILES notation for 7-bromo-1,2,3,4-tetrahydroisoquinolin-5-ol?
The canonical SMILES for 7-bromo-1,2,3,4-tetrahydroisoquinolin-5-ol is Oc1cc(Br)cc2c1CCNC2.
What is the InChIKey of 7-bromo-1,2,3,4-tetrahydroisoquinolin-5-ol?
The InChIKey is QAICYQFJGYEBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c10-7-3-6-5-11-2-1-8(6)9(12)4-7/h3-4,11-12H,1-2,5H2.
What are the key properties of 7-bromo-1,2,3,4-tetrahydroisoquinolin-5-ol?
7-bromo-1,2,3,4-tetrahydroisoquinolin-5-ol has a molecular weight of 228.09 g/mol, XLogP of 1.80, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1,2,3,4-tetrahydroisoquinolin-5-ol is sourced from PubChem (CID 84691706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).