6-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline

C9H9BrFN — CID 84693242

IUPAC6-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline
SMILESFc1c(Br)ccc2c1CCNC2
InChIInChI=1S/C9H9BrFN/c10-8-2-1-6-5-12-4-3-7(6)9(8)11/h1-2,12H,3-5H2
InChIKeyAUBCNXWUINQWCX-UHFFFAOYSA-N
MW230.08 g/mol
LogP2.23
Rot. Bonds

About 6-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline

6-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline (PubChem CID 84693242) has the molecular formula C9H9BrFN and a molecular weight of 230.08 g/mol. Its IUPAC name is 6-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline
PubChem CID84693242
Molecular FormulaC9H9BrFN
Molecular Weight230.08 g/mol
Exact Mass228.99
IUPAC Name6-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline
SMILESFc1c(Br)ccc2c1CCNC2
InChIInChI=1S/C9H9BrFN/c10-8-2-1-6-5-12-4-3-7(6)9(8)11/h1-2,12H,3-5H2
InChIKeyAUBCNXWUINQWCX-UHFFFAOYSA-N
XLogP2.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.08
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline with MolForge

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

Launch Full Analysis

Related Compounds

7-Bromo-1,2,3,4-tetrahydroisoquinoline
CID 10729255
8-Bromo-2,3,4,5-tetrahydro-1H-benzo[c]azepine
CID 44363154
5-Bromo-1,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinoline
CID 5067706
N-(3-bromobenzyl)-N-(4-fluorobenzyl)amine
CID 834406
4-Bromo-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene
CID 9904403
7-Bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 44405495
N-(4-bromobenzyl)-N-(4-fluorobenzyl)amine
CID 834418
6-Bromo-1,2,3,4-tetrahydroisoquinoline
CID 15885183
Guanisoquine
CID 10422416
3-Trifluoromethyl-7-bromo-1,2,3,4-tetrahydroisoquinoline
CID 10401405
7-Bromo-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 10514405
(R)-7-Bromo-3-fluoromethyl-1,2,3,4-tetrahydro-isoquinoline
CID 10610273

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline (CID 84693242) is 6-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline is Fc1c(Br)ccc2c1CCNC2.
What is the InChIKey of 6-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is AUBCNXWUINQWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFN/c10-8-2-1-6-5-12-4-3-7(6)9(8)11/h1-2,12H,3-5H2.
What are the key properties of 6-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline?
6-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 230.08 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 84693242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).