7-bromo-5-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride

C10H12BrCl2N — CID 167735922

IUPAC7-bromo-5-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCC1NCCc2c(Cl)cc(Br)cc21.Cl
InChIInChI=1S/C10H11BrClN.ClH/c1-6-9-4-7(11)5-10(12)8(9)2-3-13-6;/h4-6,13H,2-3H2,1H3;1H
InChIKeyZFGFNQRKWRNEKS-UHFFFAOYSA-N
MW297.02 g/mol
LogP3.73
Rot. Bonds

About 7-bromo-5-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride

7-bromo-5-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride (PubChem CID 167735922) has the molecular formula C10H12BrCl2N and a molecular weight of 297.02 g/mol. Its IUPAC name is 7-bromo-5-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name7-bromo-5-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
PubChem CID167735922
Molecular FormulaC10H12BrCl2N
Molecular Weight297.02 g/mol
Exact Mass294.95
IUPAC Name7-bromo-5-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCC1NCCc2c(Cl)cc(Br)cc21.Cl
InChIInChI=1S/C10H11BrClN.ClH/c1-6-9-4-7(11)5-10(12)8(9)2-3-13-6;/h4-6,13H,2-3H2,1H3;1H
InChIKeyZFGFNQRKWRNEKS-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.02
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 7-bromo-5-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride with MolForge

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Related Compounds

(1S)-7-bromo-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 94418031
6-chloro-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 167716546
(1R)-6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 96980969
6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 84702414
(4R)-6-bromo-8-chloro-4-methyl-1,2,3,4-tetrahydroquinoline
CID 124676937
7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-amine
CID 84667322
6-chloro-1-methyl-5-nitro-1,2,3,4-tetrahydroisoquinoline
CID 84690749
(1R)-7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 94365199
7-bromo-1-tert-butyl-5-fluoro-1,2,3,4-tetrahydroisoquinoline
CID 62373758
7,9-dichloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 11160564
2-[(2R)-azetidin-2-yl]-4-bromo-6-chlorophenol
CID 130673866
1-methyl-1,2,3,4-tetrahydroisoquinoline-5,6-diamine
CID 84656202

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The IUPAC name of 7-bromo-5-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride (CID 167735922) is 7-bromo-5-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride.
What is the SMILES notation for 7-bromo-5-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The canonical SMILES for 7-bromo-5-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride is CC1NCCc2c(Cl)cc(Br)cc21.Cl.
What is the InChIKey of 7-bromo-5-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The InChIKey is ZFGFNQRKWRNEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClN.ClH/c1-6-9-4-7(11)5-10(12)8(9)2-3-13-6;/h4-6,13H,2-3H2,1H3;1H.
What are the key properties of 7-bromo-5-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
7-bromo-5-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride has a molecular weight of 297.02 g/mol, XLogP of 3.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride is sourced from PubChem (CID 167735922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).