2-(4-propan-2-yloxyphenyl)pyridine-4-carbonitrile

C15H14N2O — CID 117001819

IUPAC2-(4-propan-2-yloxyphenyl)pyridine-4-carbonitrile
SMILESCC(C)Oc1ccc(-c2cc(C#N)ccn2)cc1
InChIInChI=1S/C15H14N2O/c1-11(2)18-14-5-3-13(4-6-14)15-9-12(10-16)7-8-17-15/h3-9,11H,1-2H3
InChIKeyKRVHEQCKXNYWHO-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.41
Rot. Bonds3

About 2-(4-propan-2-yloxyphenyl)pyridine-4-carbonitrile

2-(4-propan-2-yloxyphenyl)pyridine-4-carbonitrile (PubChem CID 117001819) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(4-propan-2-yloxyphenyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(4-propan-2-yloxyphenyl)pyridine-4-carbonitrile
PubChem CID117001819
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name2-(4-propan-2-yloxyphenyl)pyridine-4-carbonitrile
SMILESCC(C)Oc1ccc(-c2cc(C#N)ccn2)cc1
InChIInChI=1S/C15H14N2O/c1-11(2)18-14-5-3-13(4-6-14)15-9-12(10-16)7-8-17-15/h3-9,11H,1-2H3
InChIKeyKRVHEQCKXNYWHO-UHFFFAOYSA-N
XLogP3.41
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yloxyphenyl)pyridine-4-carbonitrile?
The IUPAC name of 2-(4-propan-2-yloxyphenyl)pyridine-4-carbonitrile (CID 117001819) is 2-(4-propan-2-yloxyphenyl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(4-propan-2-yloxyphenyl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(4-propan-2-yloxyphenyl)pyridine-4-carbonitrile is CC(C)Oc1ccc(-c2cc(C#N)ccn2)cc1.
What is the InChIKey of 2-(4-propan-2-yloxyphenyl)pyridine-4-carbonitrile?
The InChIKey is KRVHEQCKXNYWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-11(2)18-14-5-3-13(4-6-14)15-9-12(10-16)7-8-17-15/h3-9,11H,1-2H3.
What are the key properties of 2-(4-propan-2-yloxyphenyl)pyridine-4-carbonitrile?
2-(4-propan-2-yloxyphenyl)pyridine-4-carbonitrile has a molecular weight of 238.29 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yloxyphenyl)pyridine-4-carbonitrile is sourced from PubChem (CID 117001819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).