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

C9H10ClN — CID 12595083

IUPAC5-chloro-1,2,3,4-tetrahydroisoquinoline
SMILESClc1cccc2c1CCNC2
InChIInChI=1S/C9H10ClN/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-3,11H,4-6H2
InChIKeyOHOZWCJUZQXMAW-UHFFFAOYSA-N
MW167.64 g/mol
LogP1.99
Rot. Bonds

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

5-chloro-1,2,3,4-tetrahydroisoquinoline (PubChem CID 12595083) has the molecular formula C9H10ClN and a molecular weight of 167.64 g/mol. Its IUPAC name is 5-chloro-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-chloro-1,2,3,4-tetrahydroisoquinoline
PubChem CID12595083
Molecular FormulaC9H10ClN
Molecular Weight167.64 g/mol
Exact Mass167.05
IUPAC Name5-chloro-1,2,3,4-tetrahydroisoquinoline
SMILESClc1cccc2c1CCNC2
InChIInChI=1S/C9H10ClN/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-3,11H,4-6H2
InChIKeyOHOZWCJUZQXMAW-UHFFFAOYSA-N
XLogP1.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 51.99
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?
The IUPAC name of 5-chloro-1,2,3,4-tetrahydroisoquinoline (CID 12595083) is 5-chloro-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-chloro-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-chloro-1,2,3,4-tetrahydroisoquinoline is Clc1cccc2c1CCNC2.
What is the InChIKey of 5-chloro-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is OHOZWCJUZQXMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-3,11H,4-6H2.
What are the key properties of 5-chloro-1,2,3,4-tetrahydroisoquinoline?
5-chloro-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 167.64 g/mol, XLogP of 1.99, 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 is sourced from PubChem (CID 12595083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).