6,8-dichloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride

C9H10Cl3N — CID 12595080

IUPAC6,8-dichloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCl.Clc1cc(Cl)c2c(c1)CCNC2
InChIInChI=1S/C9H9Cl2N.ClH/c10-7-3-6-1-2-12-5-8(6)9(11)4-7;/h3-4,12H,1-2,5H2;1H
InChIKeyQKXXBZDVPZFIGG-UHFFFAOYSA-N
MW238.54 g/mol
LogP3.06
Rot. Bonds

About 6,8-dichloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride

6,8-dichloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride (PubChem CID 12595080) has the molecular formula C9H10Cl3N and a molecular weight of 238.54 g/mol. Its IUPAC name is 6,8-dichloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name6,8-dichloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride
PubChem CID12595080
Molecular FormulaC9H10Cl3N
Molecular Weight238.54 g/mol
Exact Mass236.99
IUPAC Name6,8-dichloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCl.Clc1cc(Cl)c2c(c1)CCNC2
InChIInChI=1S/C9H9Cl2N.ClH/c10-7-3-6-1-2-12-5-8(6)9(11)4-7;/h3-4,12H,1-2,5H2;1H
InChIKeyQKXXBZDVPZFIGG-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.54
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The IUPAC name of 6,8-dichloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride (CID 12595080) is 6,8-dichloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride.
What is the SMILES notation for 6,8-dichloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The canonical SMILES for 6,8-dichloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride is Cl.Clc1cc(Cl)c2c(c1)CCNC2.
What is the InChIKey of 6,8-dichloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The InChIKey is QKXXBZDVPZFIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N.ClH/c10-7-3-6-1-2-12-5-8(6)9(11)4-7;/h3-4,12H,1-2,5H2;1H.
What are the key properties of 6,8-dichloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
6,8-dichloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride has a molecular weight of 238.54 g/mol, XLogP of 3.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride is sourced from PubChem (CID 12595080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).