3-propan-2-yloxypyridine-4-carbonitrile

C9H10N2O — CID 91623739

IUPAC3-propan-2-yloxypyridine-4-carbonitrile
SMILESCC(C)Oc1cnccc1C#N
InChIInChI=1S/C9H10N2O/c1-7(2)12-9-6-11-4-3-8(9)5-10/h3-4,6-7H,1-2H3
InChIKeyJXSWGEVNVFDIPS-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.74
Rot. Bonds2

About 3-propan-2-yloxypyridine-4-carbonitrile

3-propan-2-yloxypyridine-4-carbonitrile (PubChem CID 91623739) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-propan-2-yloxypyridine-4-carbonitrile.

Molecular Properties

Compound Name3-propan-2-yloxypyridine-4-carbonitrile
PubChem CID91623739
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name3-propan-2-yloxypyridine-4-carbonitrile
SMILESCC(C)Oc1cnccc1C#N
InChIInChI=1S/C9H10N2O/c1-7(2)12-9-6-11-4-3-8(9)5-10/h3-4,6-7H,1-2H3
InChIKeyJXSWGEVNVFDIPS-UHFFFAOYSA-N
XLogP1.74
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-propan-2-yloxypyridine-4-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxypyridine-4-carbonitrile?
The IUPAC name of 3-propan-2-yloxypyridine-4-carbonitrile (CID 91623739) is 3-propan-2-yloxypyridine-4-carbonitrile.
What is the SMILES notation for 3-propan-2-yloxypyridine-4-carbonitrile?
The canonical SMILES for 3-propan-2-yloxypyridine-4-carbonitrile is CC(C)Oc1cnccc1C#N.
What is the InChIKey of 3-propan-2-yloxypyridine-4-carbonitrile?
The InChIKey is JXSWGEVNVFDIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-7(2)12-9-6-11-4-3-8(9)5-10/h3-4,6-7H,1-2H3.
What are the key properties of 3-propan-2-yloxypyridine-4-carbonitrile?
3-propan-2-yloxypyridine-4-carbonitrile has a molecular weight of 162.19 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxypyridine-4-carbonitrile is sourced from PubChem (CID 91623739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).