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

C10H9BrFN — CID 155399308

IUPAC8-bromo-5-fluoro-4-methyl-3,4-dihydroisoquinoline
SMILESCC1CN=Cc2c(Br)ccc(F)c21
InChIInChI=1S/C10H9BrFN/c1-6-4-13-5-7-8(11)2-3-9(12)10(6)7/h2-3,5-6H,4H2,1H3
InChIKeyMLMROKQTSCTTSF-UHFFFAOYSA-N
MW242.09 g/mol
LogP3.12
Rot. Bonds

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

8-bromo-5-fluoro-4-methyl-3,4-dihydroisoquinoline (PubChem CID 155399308) has the molecular formula C10H9BrFN and a molecular weight of 242.09 g/mol. Its IUPAC name is 8-bromo-5-fluoro-4-methyl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name8-bromo-5-fluoro-4-methyl-3,4-dihydroisoquinoline
PubChem CID155399308
Molecular FormulaC10H9BrFN
Molecular Weight242.09 g/mol
Exact Mass240.99
IUPAC Name8-bromo-5-fluoro-4-methyl-3,4-dihydroisoquinoline
SMILESCC1CN=Cc2c(Br)ccc(F)c21
InChIInChI=1S/C10H9BrFN/c1-6-4-13-5-7-8(11)2-3-9(12)10(6)7/h2-3,5-6H,4H2,1H3
InChIKeyMLMROKQTSCTTSF-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-fluoro-4-methyl-3,4-dihydroisoquinoline?
The IUPAC name of 8-bromo-5-fluoro-4-methyl-3,4-dihydroisoquinoline (CID 155399308) is 8-bromo-5-fluoro-4-methyl-3,4-dihydroisoquinoline.
What is the SMILES notation for 8-bromo-5-fluoro-4-methyl-3,4-dihydroisoquinoline?
The canonical SMILES for 8-bromo-5-fluoro-4-methyl-3,4-dihydroisoquinoline is CC1CN=Cc2c(Br)ccc(F)c21.
What is the InChIKey of 8-bromo-5-fluoro-4-methyl-3,4-dihydroisoquinoline?
The InChIKey is MLMROKQTSCTTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN/c1-6-4-13-5-7-8(11)2-3-9(12)10(6)7/h2-3,5-6H,4H2,1H3.
What are the key properties of 8-bromo-5-fluoro-4-methyl-3,4-dihydroisoquinoline?
8-bromo-5-fluoro-4-methyl-3,4-dihydroisoquinoline has a molecular weight of 242.09 g/mol, XLogP of 3.12, 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-4-methyl-3,4-dihydroisoquinoline is sourced from PubChem (CID 155399308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).