3-[2-(6-methyl-2-pyridinyl)ethoxy]benzonitrile

C15H14N2O — CID 19357406

IUPAC3-[2-(6-methyl-2-pyridinyl)ethoxy]benzonitrile
SMILESCc1cccc(CCOc2cccc(C#N)c2)n1
InChIInChI=1S/C15H14N2O/c1-12-4-2-6-14(17-12)8-9-18-15-7-3-5-13(10-15)11-16/h2-7,10H,8-9H2,1H3
InChIKeyUCVSRZHFMTZTNO-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.88
Rot. Bonds4

About 3-[2-(6-methyl-2-pyridinyl)ethoxy]benzonitrile

3-[2-(6-methyl-2-pyridinyl)ethoxy]benzonitrile (PubChem CID 19357406) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[2-(6-methyl-2-pyridinyl)ethoxy]benzonitrile.

Molecular Properties

Compound Name3-[2-(6-methyl-2-pyridinyl)ethoxy]benzonitrile
PubChem CID19357406
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name3-[2-(6-methyl-2-pyridinyl)ethoxy]benzonitrile
SMILESCc1cccc(CCOc2cccc(C#N)c2)n1
InChIInChI=1S/C15H14N2O/c1-12-4-2-6-14(17-12)8-9-18-15-7-3-5-13(10-15)11-16/h2-7,10H,8-9H2,1H3
InChIKeyUCVSRZHFMTZTNO-UHFFFAOYSA-N
XLogP2.88
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[2-(6-methyl-2-pyridinyl)ethoxy]benzonitrile 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

3-[2-(4-methylphenoxy)ethoxy]benzonitrile
CID 22685151
3-[2-(4-methoxyphenoxy)ethoxy]benzonitrile
CID 22686799
3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile
CID 62071333
3-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropoxy]benzonitrile
CID 62305653
3-[2-(diethylamino)ethoxy]benzonitrile
CID 22683313
3-[2-(2-methylphenoxy)ethoxy]benzonitrile
CID 20987302
4-[4-(6-methyl-2-pyridinyl)butoxy]-2-(trifluoromethyl)benzonitrile
CID 69111003
3-[2-(2,4-dimethyl-6-oxopyrimidin-1-yl)ethoxy]benzonitrile
CID 63768840
3-pent-3-ynoxybenzonitrile
CID 104743889
3-(5-oxohexoxy)benzonitrile
CID 62030651
3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile
CID 79240035
3-(6-methyl-2-pyridinyl)propanenitrile
CID 14687222

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-methyl-2-pyridinyl)ethoxy]benzonitrile?
The IUPAC name of 3-[2-(6-methyl-2-pyridinyl)ethoxy]benzonitrile (CID 19357406) is 3-[2-(6-methyl-2-pyridinyl)ethoxy]benzonitrile.
What is the SMILES notation for 3-[2-(6-methyl-2-pyridinyl)ethoxy]benzonitrile?
The canonical SMILES for 3-[2-(6-methyl-2-pyridinyl)ethoxy]benzonitrile is Cc1cccc(CCOc2cccc(C#N)c2)n1.
What is the InChIKey of 3-[2-(6-methyl-2-pyridinyl)ethoxy]benzonitrile?
The InChIKey is UCVSRZHFMTZTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-12-4-2-6-14(17-12)8-9-18-15-7-3-5-13(10-15)11-16/h2-7,10H,8-9H2,1H3.
What are the key properties of 3-[2-(6-methyl-2-pyridinyl)ethoxy]benzonitrile?
3-[2-(6-methyl-2-pyridinyl)ethoxy]benzonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-methyl-2-pyridinyl)ethoxy]benzonitrile is sourced from PubChem (CID 19357406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).