5-chloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride

C9H11Cl2N — CID 45074004

IUPAC5-chloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCl.Clc1cccc2c1CCNC2
InChIInChI=1S/C9H10ClN.ClH/c10-9-3-1-2-7-6-11-5-4-8(7)9;/h1-3,11H,4-6H2;1H
InChIKeyZEVFLDYXWYXNIX-UHFFFAOYSA-N
MW204.10 g/mol
LogP2.41
Rot. Bonds

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

5-chloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride (PubChem CID 45074004) has the molecular formula C9H11Cl2N and a molecular weight of 204.10 g/mol. Its IUPAC name is 5-chloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name5-chloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride
PubChem CID45074004
Molecular FormulaC9H11Cl2N
Molecular Weight204.10 g/mol
Exact Mass203.03
IUPAC Name5-chloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCl.Clc1cccc2c1CCNC2
InChIInChI=1S/C9H10ClN.ClH/c10-9-3-1-2-7-6-11-5-4-8(7)9;/h1-3,11H,4-6H2;1H
InChIKeyZEVFLDYXWYXNIX-UHFFFAOYSA-N
XLogP2.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.10
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The IUPAC name of 5-chloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride (CID 45074004) is 5-chloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride.
What is the SMILES notation for 5-chloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The canonical SMILES for 5-chloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride is Cl.Clc1cccc2c1CCNC2.
What is the InChIKey of 5-chloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The InChIKey is ZEVFLDYXWYXNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN.ClH/c10-9-3-1-2-7-6-11-5-4-8(7)9;/h1-3,11H,4-6H2;1H.
What are the key properties of 5-chloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
5-chloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride has a molecular weight of 204.10 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride is sourced from PubChem (CID 45074004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).