6-chloro-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride

C9H11Cl2NO — CID 146013175

IUPAC6-chloro-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride
SMILESCl.OC1CNCc2ccc(Cl)cc21
InChIInChI=1S/C9H10ClNO.ClH/c10-7-2-1-6-4-11-5-9(12)8(6)3-7;/h1-3,9,11-12H,4-5H2;1H
InChIKeyYWUQMVDQIFFPPU-UHFFFAOYSA-N
MW220.10 g/mol
LogP1.90
Rot. Bonds

About 6-chloro-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride

6-chloro-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride (PubChem CID 146013175) has the molecular formula C9H11Cl2NO and a molecular weight of 220.10 g/mol. Its IUPAC name is 6-chloro-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride.

Molecular Properties

Compound Name6-chloro-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride
PubChem CID146013175
Molecular FormulaC9H11Cl2NO
Molecular Weight220.10 g/mol
Exact Mass219.02
IUPAC Name6-chloro-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride
SMILESCl.OC1CNCc2ccc(Cl)cc21
InChIInChI=1S/C9H10ClNO.ClH/c10-7-2-1-6-4-11-5-9(12)8(6)3-7;/h1-3,9,11-12H,4-5H2;1H
InChIKeyYWUQMVDQIFFPPU-UHFFFAOYSA-N
XLogP1.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride?
The IUPAC name of 6-chloro-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride (CID 146013175) is 6-chloro-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride.
What is the SMILES notation for 6-chloro-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride?
The canonical SMILES for 6-chloro-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride is Cl.OC1CNCc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride?
The InChIKey is YWUQMVDQIFFPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO.ClH/c10-7-2-1-6-4-11-5-9(12)8(6)3-7;/h1-3,9,11-12H,4-5H2;1H.
What are the key properties of 6-chloro-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride?
6-chloro-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride has a molecular weight of 220.10 g/mol, XLogP of 1.90, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride is sourced from PubChem (CID 146013175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).