1,2,3,4-tetrahydroisoquinoline-6-carbonitrile;hydrochloride

C10H11ClN2 — CID 22570218

IUPAC1,2,3,4-tetrahydroisoquinoline-6-carbonitrile;hydrochloride
SMILESCl.N#Cc1ccc2c(c1)CCNC2
InChIInChI=1S/C10H10N2.ClH/c11-6-8-1-2-10-7-12-4-3-9(10)5-8;/h1-2,5,12H,3-4,7H2;1H
InChIKeyFYJDPVBTMLJVDX-UHFFFAOYSA-N
MW194.66 g/mol
LogP1.63
Rot. Bonds

About 1,2,3,4-tetrahydroisoquinoline-6-carbonitrile;hydrochloride

1,2,3,4-tetrahydroisoquinoline-6-carbonitrile;hydrochloride (PubChem CID 22570218) has the molecular formula C10H11ClN2 and a molecular weight of 194.66 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroisoquinoline-6-carbonitrile;hydrochloride.

Molecular Properties

Compound Name1,2,3,4-tetrahydroisoquinoline-6-carbonitrile;hydrochloride
PubChem CID22570218
Molecular FormulaC10H11ClN2
Molecular Weight194.66 g/mol
Exact Mass194.06
IUPAC Name1,2,3,4-tetrahydroisoquinoline-6-carbonitrile;hydrochloride
SMILESCl.N#Cc1ccc2c(c1)CCNC2
InChIInChI=1S/C10H10N2.ClH/c11-6-8-1-2-10-7-12-4-3-9(10)5-8;/h1-2,5,12H,3-4,7H2;1H
InChIKeyFYJDPVBTMLJVDX-UHFFFAOYSA-N
XLogP1.63
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroisoquinoline-6-carbonitrile;hydrochloride?
The IUPAC name of 1,2,3,4-tetrahydroisoquinoline-6-carbonitrile;hydrochloride (CID 22570218) is 1,2,3,4-tetrahydroisoquinoline-6-carbonitrile;hydrochloride.
What is the SMILES notation for 1,2,3,4-tetrahydroisoquinoline-6-carbonitrile;hydrochloride?
The canonical SMILES for 1,2,3,4-tetrahydroisoquinoline-6-carbonitrile;hydrochloride is Cl.N#Cc1ccc2c(c1)CCNC2.
What is the InChIKey of 1,2,3,4-tetrahydroisoquinoline-6-carbonitrile;hydrochloride?
The InChIKey is FYJDPVBTMLJVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2.ClH/c11-6-8-1-2-10-7-12-4-3-9(10)5-8;/h1-2,5,12H,3-4,7H2;1H.
What are the key properties of 1,2,3,4-tetrahydroisoquinoline-6-carbonitrile;hydrochloride?
1,2,3,4-tetrahydroisoquinoline-6-carbonitrile;hydrochloride has a molecular weight of 194.66 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroisoquinoline-6-carbonitrile;hydrochloride is sourced from PubChem (CID 22570218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).