8-bromo-5-fluoro-3-methyl-3,4-dihydroisoquinoline

C10H9BrFN — CID 155399312

IUPAC8-bromo-5-fluoro-3-methyl-3,4-dihydroisoquinoline
SMILESCC1Cc2c(F)ccc(Br)c2C=N1
InChIInChI=1S/C10H9BrFN/c1-6-4-7-8(5-13-6)9(11)2-3-10(7)12/h2-3,5-6H,4H2,1H3
InChIKeyFXEPIFLRETWHOW-UHFFFAOYSA-N
MW242.09 g/mol
LogP2.95
Rot. Bonds

About 8-bromo-5-fluoro-3-methyl-3,4-dihydroisoquinoline

8-bromo-5-fluoro-3-methyl-3,4-dihydroisoquinoline (PubChem CID 155399312) has the molecular formula C10H9BrFN and a molecular weight of 242.09 g/mol. Its IUPAC name is 8-bromo-5-fluoro-3-methyl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name8-bromo-5-fluoro-3-methyl-3,4-dihydroisoquinoline
PubChem CID155399312
Molecular FormulaC10H9BrFN
Molecular Weight242.09 g/mol
Exact Mass240.99
IUPAC Name8-bromo-5-fluoro-3-methyl-3,4-dihydroisoquinoline
SMILESCC1Cc2c(F)ccc(Br)c2C=N1
InChIInChI=1S/C10H9BrFN/c1-6-4-7-8(5-13-6)9(11)2-3-10(7)12/h2-3,5-6H,4H2,1H3
InChIKeyFXEPIFLRETWHOW-UHFFFAOYSA-N
XLogP2.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.09
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-bromo-5-fluoro-3-methyl-3,4-dihydroisoquinoline 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 8-bromo-5-fluoro-3-methyl-3,4-dihydroisoquinoline?
The IUPAC name of 8-bromo-5-fluoro-3-methyl-3,4-dihydroisoquinoline (CID 155399312) is 8-bromo-5-fluoro-3-methyl-3,4-dihydroisoquinoline.
What is the SMILES notation for 8-bromo-5-fluoro-3-methyl-3,4-dihydroisoquinoline?
The canonical SMILES for 8-bromo-5-fluoro-3-methyl-3,4-dihydroisoquinoline is CC1Cc2c(F)ccc(Br)c2C=N1.
What is the InChIKey of 8-bromo-5-fluoro-3-methyl-3,4-dihydroisoquinoline?
The InChIKey is FXEPIFLRETWHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN/c1-6-4-7-8(5-13-6)9(11)2-3-10(7)12/h2-3,5-6H,4H2,1H3.
What are the key properties of 8-bromo-5-fluoro-3-methyl-3,4-dihydroisoquinoline?
8-bromo-5-fluoro-3-methyl-3,4-dihydroisoquinoline has a molecular weight of 242.09 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-fluoro-3-methyl-3,4-dihydroisoquinoline is sourced from PubChem (CID 155399312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).