1-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone

C11H12BrNO2 — CID 68786097

IUPAC1-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone
SMILESO=C(CO)N1CCc2cc(Br)ccc2C1
InChIInChI=1S/C11H12BrNO2/c12-10-2-1-9-6-13(11(15)7-14)4-3-8(9)5-10/h1-2,5,14H,3-4,6-7H2
InChIKeyKWRDYZDNPJJUBU-UHFFFAOYSA-N
MW270.13 g/mol
LogP1.33
Rot. Bonds1

About 1-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone

1-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone (PubChem CID 68786097) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 1-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone
PubChem CID68786097
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name1-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone
SMILESO=C(CO)N1CCc2cc(Br)ccc2C1
InChIInChI=1S/C11H12BrNO2/c12-10-2-1-9-6-13(11(15)7-14)4-3-8(9)5-10/h1-2,5,14H,3-4,6-7H2
InChIKeyKWRDYZDNPJJUBU-UHFFFAOYSA-N
XLogP1.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-3-(dimethylamino)propan-1-one
CID 122430084
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone
CID 16769566
1-(7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 16750376
1-(5-bromo-1,3-dihydroisoindol-2-yl)-2-chloroethanone
CID 166407084
2-chloro-1-[6-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 167854687
1-(5-bromo-1,3-dihydroisoindol-2-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 166463445
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 5-bromo-2-fluorobenzoate
CID 8803650
6-bromo-2-methyl-3,4-dihydro-1H-isoquinoline
CID 53408381
4-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carboxylic acid
CID 174157489
1-(6-tert-butyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-2-hydroxyethanone
CID 134595658
tert-butyl 7-bromo-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate
CID 53397001
6-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 118007702

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone?
The IUPAC name of 1-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone (CID 68786097) is 1-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone.
What is the SMILES notation for 1-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone?
The canonical SMILES for 1-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone is O=C(CO)N1CCc2cc(Br)ccc2C1.
What is the InChIKey of 1-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone?
The InChIKey is KWRDYZDNPJJUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c12-10-2-1-9-6-13(11(15)7-14)4-3-8(9)5-10/h1-2,5,14H,3-4,6-7H2.
What are the key properties of 1-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone?
1-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone has a molecular weight of 270.13 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone is sourced from PubChem (CID 68786097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).