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

C10H11BrClN — CID 66157686

IUPAC5-bromo-8-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1NCCc2c(Br)ccc(Cl)c21
InChIInChI=1S/C10H11BrClN/c1-6-10-7(4-5-13-6)8(11)2-3-9(10)12/h2-3,6,13H,4-5H2,1H3
InChIKeyFZISSRXTCZZIEG-UHFFFAOYSA-N
MW260.56 g/mol
LogP3.31
Rot. Bonds

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

5-bromo-8-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 66157686) has the molecular formula C10H11BrClN and a molecular weight of 260.56 g/mol. Its IUPAC name is 5-bromo-8-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-bromo-8-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID66157686
Molecular FormulaC10H11BrClN
Molecular Weight260.56 g/mol
Exact Mass258.98
IUPAC Name5-bromo-8-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1NCCc2c(Br)ccc(Cl)c21
InChIInChI=1S/C10H11BrClN/c1-6-10-7(4-5-13-6)8(11)2-3-9(10)12/h2-3,6,13H,4-5H2,1H3
InChIKeyFZISSRXTCZZIEG-UHFFFAOYSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.56
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-bromo-8-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline (CID 66157686) is 5-bromo-8-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-bromo-8-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-bromo-8-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline is CC1NCCc2c(Br)ccc(Cl)c21.
What is the InChIKey of 5-bromo-8-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is FZISSRXTCZZIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClN/c1-6-10-7(4-5-13-6)8(11)2-3-9(10)12/h2-3,6,13H,4-5H2,1H3.
What are the key properties of 5-bromo-8-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline?
5-bromo-8-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 260.56 g/mol, XLogP of 3.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 66157686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).