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

C9H9BrClNO — CID 58602718

IUPAC2-bromo-6-chloro-3,4-dihydro-1H-isoquinolin-7-ol
SMILESOc1cc2c(cc1Cl)CCN(Br)C2
InChIInChI=1S/C9H9BrClNO/c10-12-2-1-6-3-8(11)9(13)4-7(6)5-12/h3-4,13H,1-2,5H2
InChIKeyZATIJXPUXHVXKE-UHFFFAOYSA-N
MW262.53 g/mol
LogP2.71
Rot. Bonds

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

2-bromo-6-chloro-3,4-dihydro-1H-isoquinolin-7-ol (PubChem CID 58602718) has the molecular formula C9H9BrClNO and a molecular weight of 262.53 g/mol. Its IUPAC name is 2-bromo-6-chloro-3,4-dihydro-1H-isoquinolin-7-ol.

Molecular Properties

Compound Name2-bromo-6-chloro-3,4-dihydro-1H-isoquinolin-7-ol
PubChem CID58602718
Molecular FormulaC9H9BrClNO
Molecular Weight262.53 g/mol
Exact Mass260.96
IUPAC Name2-bromo-6-chloro-3,4-dihydro-1H-isoquinolin-7-ol
SMILESOc1cc2c(cc1Cl)CCN(Br)C2
InChIInChI=1S/C9H9BrClNO/c10-12-2-1-6-3-8(11)9(13)4-7(6)5-12/h3-4,13H,1-2,5H2
InChIKeyZATIJXPUXHVXKE-UHFFFAOYSA-N
XLogP2.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.53
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1,3,4,5-tetrahydro-2-benzazepine-7,8-diol
CID 58602618
3-bromo-6,8-dichloro-1,2,4,5-tetrahydro-3-benzazepin-7-ol
CID 58602689
6-chloro-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaen-5-ol
CID 11573628
7-chloro-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 84659348
6-chloro-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one
CID 131529370
1-(7-chloro-8-hydroxy-4-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 90862118
7-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
CID 84703157
iodomethane;2-methyl-3,4-dihydro-1H-isoquinoline-6,7-diol
CID 23621205
2-bromo-1,3-dihydroisoindol-5-ol
CID 58602666
6,7-dihydroxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide
CID 130474626
7-amino-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
CID 84656604
2-[4-(4-chlorophenyl)-1-hydroxybutyl]-3,4-dihydro-1H-isoquinoline-6,7-diol
CID 139566514

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-3,4-dihydro-1H-isoquinolin-7-ol?
The IUPAC name of 2-bromo-6-chloro-3,4-dihydro-1H-isoquinolin-7-ol (CID 58602718) is 2-bromo-6-chloro-3,4-dihydro-1H-isoquinolin-7-ol.
What is the SMILES notation for 2-bromo-6-chloro-3,4-dihydro-1H-isoquinolin-7-ol?
The canonical SMILES for 2-bromo-6-chloro-3,4-dihydro-1H-isoquinolin-7-ol is Oc1cc2c(cc1Cl)CCN(Br)C2.
What is the InChIKey of 2-bromo-6-chloro-3,4-dihydro-1H-isoquinolin-7-ol?
The InChIKey is ZATIJXPUXHVXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNO/c10-12-2-1-6-3-8(11)9(13)4-7(6)5-12/h3-4,13H,1-2,5H2.
What are the key properties of 2-bromo-6-chloro-3,4-dihydro-1H-isoquinolin-7-ol?
2-bromo-6-chloro-3,4-dihydro-1H-isoquinolin-7-ol has a molecular weight of 262.53 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-3,4-dihydro-1H-isoquinolin-7-ol is sourced from PubChem (CID 58602718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).