5-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol

C10H12BrNO2 — CID 83901594

IUPAC5-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
SMILESCOc1c(O)cc2c(c1Br)CCNC2
InChIInChI=1S/C10H12BrNO2/c1-14-10-8(13)4-6-5-12-3-2-7(6)9(10)11/h4,12-13H,2-3,5H2,1H3
InChIKeyMLVFRCKOEGMQOM-UHFFFAOYSA-N
MW258.11 g/mol
LogP1.81
Rot. Bonds1

About 5-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol

5-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol (PubChem CID 83901594) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 5-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol.

Molecular Properties

Compound Name5-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
PubChem CID83901594
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name5-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
SMILESCOc1c(O)cc2c(c1Br)CCNC2
InChIInChI=1S/C10H12BrNO2/c1-14-10-8(13)4-6-5-12-3-2-7(6)9(10)11/h4,12-13H,2-3,5H2,1H3
InChIKeyMLVFRCKOEGMQOM-UHFFFAOYSA-N
XLogP1.81
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol?
The IUPAC name of 5-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol (CID 83901594) is 5-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol.
What is the SMILES notation for 5-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol?
The canonical SMILES for 5-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol is COc1c(O)cc2c(c1Br)CCNC2.
What is the InChIKey of 5-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol?
The InChIKey is MLVFRCKOEGMQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-14-10-8(13)4-6-5-12-3-2-7(6)9(10)11/h4,12-13H,2-3,5H2,1H3.
What are the key properties of 5-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol?
5-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol has a molecular weight of 258.11 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol is sourced from PubChem (CID 83901594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).