6-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol

C10H12BrNO — CID 84703152

IUPAC6-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol
SMILESCN1CCc2c(ccc(Br)c2O)C1
InChIInChI=1S/C10H12BrNO/c1-12-5-4-8-7(6-12)2-3-9(11)10(8)13/h2-3,13H,4-6H2,1H3
InChIKeyDAXGTTUFRYVUCM-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.14
Rot. Bonds

About 6-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol

6-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol (PubChem CID 84703152) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 6-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol.

Molecular Properties

Compound Name6-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol
PubChem CID84703152
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name6-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol
SMILESCN1CCc2c(ccc(Br)c2O)C1
InChIInChI=1S/C10H12BrNO/c1-12-5-4-8-7(6-12)2-3-9(11)10(8)13/h2-3,13H,4-6H2,1H3
InChIKeyDAXGTTUFRYVUCM-UHFFFAOYSA-N
XLogP2.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol
CID 84656601
2-bromo-5,6,7,8-tetrahydronaphthalen-1-ol
CID 22252946
7-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
CID 84703157
6-bromo-1,2,3,4-tetrahydroisoquinolin-5-ol
CID 84691693
6-bromo-2-methyl-3,4-dihydro-1H-isoquinoline
CID 53408381
5-chloro-2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 162779153
methanol;2-methyl-3,4-dihydro-1H-isoquinoline
CID 142001874
actinium;(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)azanide
CID 20633083
2-methyl-3,4-dihydro-1H-isoquinoline-5-carbonitrile
CID 14528786
2-bromo-6-methoxy-3,4-dihydro-1H-isoquinolin-5-ol
CID 58602621
2-methyl-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline
CID 143924095
methane;2-methyl-3,4-dihydro-1H-isoquinoline
CID 161283116

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol?
The IUPAC name of 6-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol (CID 84703152) is 6-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol.
What is the SMILES notation for 6-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol?
The canonical SMILES for 6-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol is CN1CCc2c(ccc(Br)c2O)C1.
What is the InChIKey of 6-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol?
The InChIKey is DAXGTTUFRYVUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-12-5-4-8-7(6-12)2-3-9(11)10(8)13/h2-3,13H,4-6H2,1H3.
What are the key properties of 6-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol?
6-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol has a molecular weight of 242.12 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol is sourced from PubChem (CID 84703152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).