8-bromo-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline

C10H11BrFN — CID 63272678

IUPAC8-bromo-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1NCCc2c(F)ccc(Br)c21
InChIInChI=1S/C10H11BrFN/c1-6-10-7(4-5-13-6)9(12)3-2-8(10)11/h2-3,6,13H,4-5H2,1H3
InChIKeyJKQDUZZQJVHEPQ-UHFFFAOYSA-N
MW244.11 g/mol
LogP2.79
Rot. Bonds

About 8-bromo-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline

8-bromo-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 63272678) has the molecular formula C10H11BrFN and a molecular weight of 244.11 g/mol. Its IUPAC name is 8-bromo-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-bromo-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID63272678
Molecular FormulaC10H11BrFN
Molecular Weight244.11 g/mol
Exact Mass243.01
IUPAC Name8-bromo-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1NCCc2c(F)ccc(Br)c21
InChIInChI=1S/C10H11BrFN/c1-6-10-7(4-5-13-6)9(12)3-2-8(10)11/h2-3,6,13H,4-5H2,1H3
InChIKeyJKQDUZZQJVHEPQ-UHFFFAOYSA-N
XLogP2.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-bromo-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline (CID 63272678) is 8-bromo-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-bromo-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-bromo-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline is CC1NCCc2c(F)ccc(Br)c21.
What is the InChIKey of 8-bromo-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is JKQDUZZQJVHEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN/c1-6-10-7(4-5-13-6)9(12)3-2-8(10)11/h2-3,6,13H,4-5H2,1H3.
What are the key properties of 8-bromo-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline?
8-bromo-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 244.11 g/mol, XLogP of 2.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 63272678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).