3-(2-pyridin-2-ylethoxy)pentanenitrile

C12H16N2O — CID 43175139

IUPAC3-(2-pyridin-2-ylethoxy)pentanenitrile
SMILESCCC(CC#N)OCCc1ccccn1
InChIInChI=1S/C12H16N2O/c1-2-12(6-8-13)15-10-7-11-5-3-4-9-14-11/h3-5,9,12H,2,6-7,10H2,1H3
InChIKeyOWNJEKUMUPEZQH-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.33
Rot. Bonds6

About 3-(2-pyridin-2-ylethoxy)pentanenitrile

3-(2-pyridin-2-ylethoxy)pentanenitrile (PubChem CID 43175139) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-(2-pyridin-2-ylethoxy)pentanenitrile.

Molecular Properties

Compound Name3-(2-pyridin-2-ylethoxy)pentanenitrile
PubChem CID43175139
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-(2-pyridin-2-ylethoxy)pentanenitrile
SMILESCCC(CC#N)OCCc1ccccn1
InChIInChI=1S/C12H16N2O/c1-2-12(6-8-13)15-10-7-11-5-3-4-9-14-11/h3-5,9,12H,2,6-7,10H2,1H3
InChIKeyOWNJEKUMUPEZQH-UHFFFAOYSA-N
XLogP2.33
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2-pyridin-2-ylethoxy)pentanenitrile 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-pyridin-2-ylethyl cyanate
CID 21195134
N-propan-2-yl-2-(2-pyridin-2-ylethoxy)pentan-1-amine
CID 83045178
2-methyl-3-(2-pyridin-2-ylethoxy)propanenitrile
CID 43174893
2-[2-(ethoxymethoxy)ethyl]pyridine
CID 20729603
1-(2-pyridin-2-ylethoxy)-1-thiophen-2-ylbutan-2-amine
CID 55021086
2-(3-ethyl-4-methylpentyl)pyridine
CID 67454741
ethyl 3-(2-pyridin-2-ylethoxy)butanoate
CID 115001946
N-(1-cyanopropan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 62093173
N-propan-2-yl-N-(2-pyridin-2-ylethoxy)propan-2-amine
CID 19697050
(1R)-1-[4-(2-pyridin-2-ylethoxy)phenyl]propan-1-amine
CID 78937530
3-(3-methylbutoxy)pentanenitrile
CID 43367899
4-methoxy-2-(2-pyridin-2-ylethoxy)benzonitrile
CID 81305629

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-2-ylethoxy)pentanenitrile?
The IUPAC name of 3-(2-pyridin-2-ylethoxy)pentanenitrile (CID 43175139) is 3-(2-pyridin-2-ylethoxy)pentanenitrile.
What is the SMILES notation for 3-(2-pyridin-2-ylethoxy)pentanenitrile?
The canonical SMILES for 3-(2-pyridin-2-ylethoxy)pentanenitrile is CCC(CC#N)OCCc1ccccn1.
What is the InChIKey of 3-(2-pyridin-2-ylethoxy)pentanenitrile?
The InChIKey is OWNJEKUMUPEZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-12(6-8-13)15-10-7-11-5-3-4-9-14-11/h3-5,9,12H,2,6-7,10H2,1H3.
What are the key properties of 3-(2-pyridin-2-ylethoxy)pentanenitrile?
3-(2-pyridin-2-ylethoxy)pentanenitrile has a molecular weight of 204.27 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-2-ylethoxy)pentanenitrile is sourced from PubChem (CID 43175139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).