2-methyl-1H-isoquinoline-5-carbonitrile

C11H10N2 — CID 141349169

IUPAC2-methyl-1H-isoquinoline-5-carbonitrile
SMILESCN1C=Cc2c(C#N)cccc2C1
InChIInChI=1S/C11H10N2/c1-13-6-5-11-9(7-12)3-2-4-10(11)8-13/h2-6H,8H2,1H3
InChIKeyRHSBKFVTFUUNPY-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.97
Rot. Bonds

About 2-methyl-1H-isoquinoline-5-carbonitrile

2-methyl-1H-isoquinoline-5-carbonitrile (PubChem CID 141349169) has the molecular formula C11H10N2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-methyl-1H-isoquinoline-5-carbonitrile.

Molecular Properties

Compound Name2-methyl-1H-isoquinoline-5-carbonitrile
PubChem CID141349169
Molecular FormulaC11H10N2
Molecular Weight170.21 g/mol
Exact Mass170.08
IUPAC Name2-methyl-1H-isoquinoline-5-carbonitrile
SMILESCN1C=Cc2c(C#N)cccc2C1
InChIInChI=1S/C11H10N2/c1-13-6-5-11-9(7-12)3-2-4-10(11)8-13/h2-6H,8H2,1H3
InChIKeyRHSBKFVTFUUNPY-UHFFFAOYSA-N
XLogP1.97
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1H-isoquinoline-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-isoquinoline-5-carbonitrile?
The IUPAC name of 2-methyl-1H-isoquinoline-5-carbonitrile (CID 141349169) is 2-methyl-1H-isoquinoline-5-carbonitrile.
What is the SMILES notation for 2-methyl-1H-isoquinoline-5-carbonitrile?
The canonical SMILES for 2-methyl-1H-isoquinoline-5-carbonitrile is CN1C=Cc2c(C#N)cccc2C1.
What is the InChIKey of 2-methyl-1H-isoquinoline-5-carbonitrile?
The InChIKey is RHSBKFVTFUUNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2/c1-13-6-5-11-9(7-12)3-2-4-10(11)8-13/h2-6H,8H2,1H3.
What are the key properties of 2-methyl-1H-isoquinoline-5-carbonitrile?
2-methyl-1H-isoquinoline-5-carbonitrile has a molecular weight of 170.21 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-isoquinoline-5-carbonitrile is sourced from PubChem (CID 141349169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).