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

C9H10BrNO — CID 84691693

IUPAC6-bromo-1,2,3,4-tetrahydroisoquinolin-5-ol
SMILESOc1c(Br)ccc2c1CCNC2
InChIInChI=1S/C9H10BrNO/c10-8-2-1-6-5-11-4-3-7(6)9(8)12/h1-2,11-12H,3-5H2
InChIKeyXUTXNGTWIKRLPO-UHFFFAOYSA-N
MW228.09 g/mol
LogP1.80
Rot. Bonds

About 6-bromo-1,2,3,4-tetrahydroisoquinolin-5-ol

6-bromo-1,2,3,4-tetrahydroisoquinolin-5-ol (PubChem CID 84691693) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is 6-bromo-1,2,3,4-tetrahydroisoquinolin-5-ol.

Molecular Properties

Compound Name6-bromo-1,2,3,4-tetrahydroisoquinolin-5-ol
PubChem CID84691693
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name6-bromo-1,2,3,4-tetrahydroisoquinolin-5-ol
SMILESOc1c(Br)ccc2c1CCNC2
InChIInChI=1S/C9H10BrNO/c10-8-2-1-6-5-11-4-3-7(6)9(8)12/h1-2,11-12H,3-5H2
InChIKeyXUTXNGTWIKRLPO-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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Related Compounds

6-amino-1,2,3,4-tetrahydroisoquinolin-5-ol
CID 84651923
2-bromo-5,6,7,8-tetrahydronaphthalen-1-ol
CID 22252946
6-methoxy-1,2,3,4-tetrahydroisoquinolin-5-ol
CID 83875098
6-(dimethylamino)-1,2,3,4-tetrahydroisoquinolin-5-ol;hydrochloride
CID 90411328
5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 84652626
5-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 59370482
6-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol
CID 84703152
7-bromo-1,2,3,4-tetrahydroisoquinolin-5-ol
CID 84691706
tert-butyl N-(6-bromo-1,2,3,4-tetrahydroisoquinolin-5-yl)carbamate
CID 125450008
6-chloro-5-fluoro-1,2,3,4-tetrahydroisoquinoline
CID 53418628
7-bromo-1,2,3,4-tetrahydroisoquinoline
CID 10729255
5-chloro-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 71743943

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,2,3,4-tetrahydroisoquinolin-5-ol?
The IUPAC name of 6-bromo-1,2,3,4-tetrahydroisoquinolin-5-ol (CID 84691693) is 6-bromo-1,2,3,4-tetrahydroisoquinolin-5-ol.
What is the SMILES notation for 6-bromo-1,2,3,4-tetrahydroisoquinolin-5-ol?
The canonical SMILES for 6-bromo-1,2,3,4-tetrahydroisoquinolin-5-ol is Oc1c(Br)ccc2c1CCNC2.
What is the InChIKey of 6-bromo-1,2,3,4-tetrahydroisoquinolin-5-ol?
The InChIKey is XUTXNGTWIKRLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c10-8-2-1-6-5-11-4-3-7(6)9(8)12/h1-2,11-12H,3-5H2.
What are the key properties of 6-bromo-1,2,3,4-tetrahydroisoquinolin-5-ol?
6-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 6-bromo-1,2,3,4-tetrahydroisoquinolin-5-ol is sourced from PubChem (CID 84691693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).