2-(2-cyclobutylethoxy)-6-methoxypyridine-3-carbonitrile

C13H16N2O2 — CID 130247545

IUPAC2-(2-cyclobutylethoxy)-6-methoxypyridine-3-carbonitrile
SMILESCOc1ccc(C#N)c(OCCC2CCC2)n1
InChIInChI=1S/C13H16N2O2/c1-16-12-6-5-11(9-14)13(15-12)17-8-7-10-3-2-4-10/h5-6,10H,2-4,7-8H2,1H3
InChIKeyFGKRZDYRKFPASA-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.53
Rot. Bonds5

About 2-(2-cyclobutylethoxy)-6-methoxypyridine-3-carbonitrile

2-(2-cyclobutylethoxy)-6-methoxypyridine-3-carbonitrile (PubChem CID 130247545) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(2-cyclobutylethoxy)-6-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-cyclobutylethoxy)-6-methoxypyridine-3-carbonitrile
PubChem CID130247545
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(2-cyclobutylethoxy)-6-methoxypyridine-3-carbonitrile
SMILESCOc1ccc(C#N)c(OCCC2CCC2)n1
InChIInChI=1S/C13H16N2O2/c1-16-12-6-5-11(9-14)13(15-12)17-8-7-10-3-2-4-10/h5-6,10H,2-4,7-8H2,1H3
InChIKeyFGKRZDYRKFPASA-UHFFFAOYSA-N
XLogP2.53
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylethoxy)-6-methoxypyridine-3-carbonitrile?
The IUPAC name of 2-(2-cyclobutylethoxy)-6-methoxypyridine-3-carbonitrile (CID 130247545) is 2-(2-cyclobutylethoxy)-6-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-cyclobutylethoxy)-6-methoxypyridine-3-carbonitrile?
The canonical SMILES for 2-(2-cyclobutylethoxy)-6-methoxypyridine-3-carbonitrile is COc1ccc(C#N)c(OCCC2CCC2)n1.
What is the InChIKey of 2-(2-cyclobutylethoxy)-6-methoxypyridine-3-carbonitrile?
The InChIKey is FGKRZDYRKFPASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-16-12-6-5-11(9-14)13(15-12)17-8-7-10-3-2-4-10/h5-6,10H,2-4,7-8H2,1H3.
What are the key properties of 2-(2-cyclobutylethoxy)-6-methoxypyridine-3-carbonitrile?
2-(2-cyclobutylethoxy)-6-methoxypyridine-3-carbonitrile has a molecular weight of 232.28 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylethoxy)-6-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 130247545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).