5,8-dichloro-1,2,3,4-tetrahydroisoquinoline

C9H9Cl2N — CID 12595075

IUPAC5,8-dichloro-1,2,3,4-tetrahydroisoquinoline
SMILESClc1ccc(Cl)c2c1CCNC2
InChIInChI=1S/C9H9Cl2N/c10-8-1-2-9(11)7-5-12-4-3-6(7)8/h1-2,12H,3-5H2
InChIKeyGNGZYQIBMKXWKR-UHFFFAOYSA-N
MW202.08 g/mol
LogP2.64
Rot. Bonds

About 5,8-dichloro-1,2,3,4-tetrahydroisoquinoline

5,8-dichloro-1,2,3,4-tetrahydroisoquinoline (PubChem CID 12595075) has the molecular formula C9H9Cl2N and a molecular weight of 202.08 g/mol. Its IUPAC name is 5,8-dichloro-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5,8-dichloro-1,2,3,4-tetrahydroisoquinoline
PubChem CID12595075
Molecular FormulaC9H9Cl2N
Molecular Weight202.08 g/mol
Exact Mass201.01
IUPAC Name5,8-dichloro-1,2,3,4-tetrahydroisoquinoline
SMILESClc1ccc(Cl)c2c1CCNC2
InChIInChI=1S/C9H9Cl2N/c10-8-1-2-9(11)7-5-12-4-3-6(7)8/h1-2,12H,3-5H2
InChIKeyGNGZYQIBMKXWKR-UHFFFAOYSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.08
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,8-dichloro-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5,8-dichloro-1,2,3,4-tetrahydroisoquinoline (CID 12595075) is 5,8-dichloro-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5,8-dichloro-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5,8-dichloro-1,2,3,4-tetrahydroisoquinoline is Clc1ccc(Cl)c2c1CCNC2.
What is the InChIKey of 5,8-dichloro-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is GNGZYQIBMKXWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N/c10-8-1-2-9(11)7-5-12-4-3-6(7)8/h1-2,12H,3-5H2.
What are the key properties of 5,8-dichloro-1,2,3,4-tetrahydroisoquinoline?
5,8-dichloro-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 202.08 g/mol, XLogP of 2.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dichloro-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 12595075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).