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

C10H12BrNO2 — CID 58602621

IUPAC2-bromo-6-methoxy-3,4-dihydro-1H-isoquinolin-5-ol
SMILESCOc1ccc2c(c1O)CCN(Br)C2
InChIInChI=1S/C10H12BrNO2/c1-14-9-3-2-7-6-12(11)5-4-8(7)10(9)13/h2-3,13H,4-6H2,1H3
InChIKeyUSUUZSLGIRAFLW-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.07
Rot. Bonds1

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

2-bromo-6-methoxy-3,4-dihydro-1H-isoquinolin-5-ol (PubChem CID 58602621) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 2-bromo-6-methoxy-3,4-dihydro-1H-isoquinolin-5-ol.

Molecular Properties

Compound Name2-bromo-6-methoxy-3,4-dihydro-1H-isoquinolin-5-ol
PubChem CID58602621
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name2-bromo-6-methoxy-3,4-dihydro-1H-isoquinolin-5-ol
SMILESCOc1ccc2c(c1O)CCN(Br)C2
InChIInChI=1S/C10H12BrNO2/c1-14-9-3-2-7-6-12(11)5-4-8(7)10(9)13/h2-3,13H,4-6H2,1H3
InChIKeyUSUUZSLGIRAFLW-UHFFFAOYSA-N
XLogP2.07
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-bromophenyl)ethyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-5-ol
CID 141119514
6-methoxy-1,2,3,4-tetrahydroisoquinolin-5-ol
CID 83875098
(13aS)-2,3,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-9-ol
CID 46185069
6-amino-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol
CID 84656601
6-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol
CID 84703152
(13aR)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol
CID 1152279
1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-3,11-diol
CID 14378683
5-bromo-2-cyclopentyl-6-methoxy-3,4-dihydro-1H-isoquinoline
CID 110457383
(13aS)-10-methoxy-3-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol
CID 145309002
10-methoxy-6-methyl-3-sulfanyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
CID 23238144
7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine
CID 84664224
5-methoxy-2,3-dihydro-1-benzofuran-4-ol
CID 105432938

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-3,4-dihydro-1H-isoquinolin-5-ol?
The IUPAC name of 2-bromo-6-methoxy-3,4-dihydro-1H-isoquinolin-5-ol (CID 58602621) is 2-bromo-6-methoxy-3,4-dihydro-1H-isoquinolin-5-ol.
What is the SMILES notation for 2-bromo-6-methoxy-3,4-dihydro-1H-isoquinolin-5-ol?
The canonical SMILES for 2-bromo-6-methoxy-3,4-dihydro-1H-isoquinolin-5-ol is COc1ccc2c(c1O)CCN(Br)C2.
What is the InChIKey of 2-bromo-6-methoxy-3,4-dihydro-1H-isoquinolin-5-ol?
The InChIKey is USUUZSLGIRAFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-14-9-3-2-7-6-12(11)5-4-8(7)10(9)13/h2-3,13H,4-6H2,1H3.
What are the key properties of 2-bromo-6-methoxy-3,4-dihydro-1H-isoquinolin-5-ol?
2-bromo-6-methoxy-3,4-dihydro-1H-isoquinolin-5-ol has a molecular weight of 258.11 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-3,4-dihydro-1H-isoquinolin-5-ol is sourced from PubChem (CID 58602621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).