2-[5-(cyanomethyl)-2,6-dimethyl-3-pyridinyl]acetonitrile

C11H11N3 — CID 68939181

IUPAC2-[5-(cyanomethyl)-2,6-dimethyl-3-pyridinyl]acetonitrile
SMILESCc1nc(C)c(CC#N)cc1CC#N
InChIInChI=1S/C11H11N3/c1-8-10(3-5-12)7-11(4-6-13)9(2)14-8/h7H,3-4H2,1-2H3
InChIKeyKMHHIRRCYAGTSU-UHFFFAOYSA-N
MW185.23 g/mol
LogP1.83
Rot. Bonds2

About 2-[5-(cyanomethyl)-2,6-dimethyl-3-pyridinyl]acetonitrile

2-[5-(cyanomethyl)-2,6-dimethyl-3-pyridinyl]acetonitrile (PubChem CID 68939181) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-[5-(cyanomethyl)-2,6-dimethyl-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-(cyanomethyl)-2,6-dimethyl-3-pyridinyl]acetonitrile
PubChem CID68939181
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name2-[5-(cyanomethyl)-2,6-dimethyl-3-pyridinyl]acetonitrile
SMILESCc1nc(C)c(CC#N)cc1CC#N
InChIInChI=1S/C11H11N3/c1-8-10(3-5-12)7-11(4-6-13)9(2)14-8/h7H,3-4H2,1-2H3
InChIKeyKMHHIRRCYAGTSU-UHFFFAOYSA-N
XLogP1.83
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[5-(cyanomethyl)-2,6-dimethyl-3-pyridinyl]acetonitrile with MolForge

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

Launch Full Analysis

Related Compounds

2-(5-bromo-2-methyl-3-pyridinyl)acetonitrile
CID 130153910
2-[5-(aminomethyl)-2-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134670667
2-[6-(chloromethyl)-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetonitrile
CID 118826950
2-[5-chloro-2-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile
CID 130074290
2-[2,3-bis(cyanomethyl)-5-methylphenyl]acetonitrile
CID 170886230
2-[2-chloro-5-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile
CID 119024134
2-(2,6,7-trimethylquinolin-4-yl)acetonitrile
CID 82448714
3-(cyanomethyl)-2-methylbenzoic acid
CID 66621142
2-(2-bromo-3-methyl-4-pyridinyl)acetonitrile
CID 118993108
2-[3-hydroxy-2-methyl-6-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 130112096
2-[6-(2-methoxyphenyl)-2-methyl-3-pyridinyl]acetonitrile
CID 82452851
2-(4,6-dimethylpyrimidin-5-yl)acetonitrile
CID 84763015

Frequently Asked Questions

What is the IUPAC name of 2-[5-(cyanomethyl)-2,6-dimethyl-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-(cyanomethyl)-2,6-dimethyl-3-pyridinyl]acetonitrile (CID 68939181) is 2-[5-(cyanomethyl)-2,6-dimethyl-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-(cyanomethyl)-2,6-dimethyl-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-(cyanomethyl)-2,6-dimethyl-3-pyridinyl]acetonitrile is Cc1nc(C)c(CC#N)cc1CC#N.
What is the InChIKey of 2-[5-(cyanomethyl)-2,6-dimethyl-3-pyridinyl]acetonitrile?
The InChIKey is KMHHIRRCYAGTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-8-10(3-5-12)7-11(4-6-13)9(2)14-8/h7H,3-4H2,1-2H3.
What are the key properties of 2-[5-(cyanomethyl)-2,6-dimethyl-3-pyridinyl]acetonitrile?
2-[5-(cyanomethyl)-2,6-dimethyl-3-pyridinyl]acetonitrile has a molecular weight of 185.23 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(cyanomethyl)-2,6-dimethyl-3-pyridinyl]acetonitrile is sourced from PubChem (CID 68939181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).