2,6-di(propan-2-yloxy)pyridine-3-carbonitrile

C12H16N2O2 — CID 11117559

IUPAC2,6-di(propan-2-yloxy)pyridine-3-carbonitrile
SMILESCC(C)Oc1ccc(C#N)c(OC(C)C)n1
InChIInChI=1S/C12H16N2O2/c1-8(2)15-11-6-5-10(7-13)12(14-11)16-9(3)4/h5-6,8-9H,1-4H3
InChIKeyXLPYDCMISZUCIL-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.53
Rot. Bonds4

About 2,6-di(propan-2-yloxy)pyridine-3-carbonitrile

2,6-di(propan-2-yloxy)pyridine-3-carbonitrile (PubChem CID 11117559) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2,6-di(propan-2-yloxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-di(propan-2-yloxy)pyridine-3-carbonitrile
PubChem CID11117559
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2,6-di(propan-2-yloxy)pyridine-3-carbonitrile
SMILESCC(C)Oc1ccc(C#N)c(OC(C)C)n1
InChIInChI=1S/C12H16N2O2/c1-8(2)15-11-6-5-10(7-13)12(14-11)16-9(3)4/h5-6,8-9H,1-4H3
InChIKeyXLPYDCMISZUCIL-UHFFFAOYSA-N
XLogP2.53
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,6-di(propan-2-yloxy)pyridine-3-carbonitrile 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-propan-2-yloxypyridazine-4-carbonitrile
CID 80510144
6-but-3-yn-2-yloxy-2-methylpyridine-3-carbonitrile
CID 130560169
2-but-3-yn-2-yloxy-6-methylpyridine-3-carbonitrile
CID 106794912
4-[(5-amino-6-propan-2-yloxy-2-pyridinyl)oxy]benzonitrile
CID 43262138
6-chloro-2-(difluoromethoxy)pyridine-3-carbonitrile
CID 130775319
4,5-di(propan-2-yloxy)benzene-1,2-dicarbonitrile
CID 141478282
2,3-di(propan-2-yloxy)pyrazino[2,3-b]pyrazine-6,7-dicarbonitrile
CID 15027060
2-(4-propan-2-yloxypyrimidin-2-yl)acetonitrile
CID 112639154
1,3-di(propan-2-yloxy)isoquinoline
CID 68980683
4-amino-2-propan-2-yloxybenzonitrile
CID 131557509
2-bromo-4-propan-2-yloxybenzonitrile
CID 104573950
3-propan-2-yloxypyridine-4-carbonitrile
CID 91623739

Frequently Asked Questions

What is the IUPAC name of 2,6-di(propan-2-yloxy)pyridine-3-carbonitrile?
The IUPAC name of 2,6-di(propan-2-yloxy)pyridine-3-carbonitrile (CID 11117559) is 2,6-di(propan-2-yloxy)pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-di(propan-2-yloxy)pyridine-3-carbonitrile?
The canonical SMILES for 2,6-di(propan-2-yloxy)pyridine-3-carbonitrile is CC(C)Oc1ccc(C#N)c(OC(C)C)n1.
What is the InChIKey of 2,6-di(propan-2-yloxy)pyridine-3-carbonitrile?
The InChIKey is XLPYDCMISZUCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8(2)15-11-6-5-10(7-13)12(14-11)16-9(3)4/h5-6,8-9H,1-4H3.
What are the key properties of 2,6-di(propan-2-yloxy)pyridine-3-carbonitrile?
2,6-di(propan-2-yloxy)pyridine-3-carbonitrile has a molecular weight of 220.27 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(propan-2-yloxy)pyridine-3-carbonitrile is sourced from PubChem (CID 11117559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).