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

C10H12BrNO — CID 84703157

IUPAC7-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCN1CCc2cc(O)c(Br)cc2C1
InChIInChI=1S/C10H12BrNO/c1-12-3-2-7-5-10(13)9(11)4-8(7)6-12/h4-5,13H,2-3,6H2,1H3
InChIKeyQRQMVCZJTWLYNJ-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.14
Rot. Bonds

About 7-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol

7-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol (PubChem CID 84703157) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 7-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol.

Molecular Properties

Compound Name7-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
PubChem CID84703157
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name7-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCN1CCc2cc(O)c(Br)cc2C1
InChIInChI=1S/C10H12BrNO/c1-12-3-2-7-5-10(13)9(11)4-8(7)6-12/h4-5,13H,2-3,6H2,1H3
InChIKeyQRQMVCZJTWLYNJ-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

Analyze 7-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol?
The IUPAC name of 7-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol (CID 84703157) is 7-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol.
What is the SMILES notation for 7-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol?
The canonical SMILES for 7-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol is CN1CCc2cc(O)c(Br)cc2C1.
What is the InChIKey of 7-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol?
The InChIKey is QRQMVCZJTWLYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-12-3-2-7-5-10(13)9(11)4-8(7)6-12/h4-5,13H,2-3,6H2,1H3.
What are the key properties of 7-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol?
7-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-6-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 7-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol is sourced from PubChem (CID 84703157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).