2-(2,4-dimethylphenoxy)pyridine-4-carbonitrile

C14H12N2O — CID 24690877

IUPAC2-(2,4-dimethylphenoxy)pyridine-4-carbonitrile
SMILESCc1ccc(Oc2cc(C#N)ccn2)c(C)c1
InChIInChI=1S/C14H12N2O/c1-10-3-4-13(11(2)7-10)17-14-8-12(9-15)5-6-16-14/h3-8H,1-2H3
InChIKeyGPTBMZGIMSICKO-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.36
Rot. Bonds2

About 2-(2,4-dimethylphenoxy)pyridine-4-carbonitrile

2-(2,4-dimethylphenoxy)pyridine-4-carbonitrile (PubChem CID 24690877) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)pyridine-4-carbonitrile
PubChem CID24690877
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name2-(2,4-dimethylphenoxy)pyridine-4-carbonitrile
SMILESCc1ccc(Oc2cc(C#N)ccn2)c(C)c1
InChIInChI=1S/C14H12N2O/c1-10-3-4-13(11(2)7-10)17-14-8-12(9-15)5-6-16-14/h3-8H,1-2H3
InChIKeyGPTBMZGIMSICKO-UHFFFAOYSA-N
XLogP3.36
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)pyridine-4-carbonitrile?
The IUPAC name of 2-(2,4-dimethylphenoxy)pyridine-4-carbonitrile (CID 24690877) is 2-(2,4-dimethylphenoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)pyridine-4-carbonitrile?
The canonical SMILES for 2-(2,4-dimethylphenoxy)pyridine-4-carbonitrile is Cc1ccc(Oc2cc(C#N)ccn2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)pyridine-4-carbonitrile?
The InChIKey is GPTBMZGIMSICKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-10-3-4-13(11(2)7-10)17-14-8-12(9-15)5-6-16-14/h3-8H,1-2H3.
What are the key properties of 2-(2,4-dimethylphenoxy)pyridine-4-carbonitrile?
2-(2,4-dimethylphenoxy)pyridine-4-carbonitrile has a molecular weight of 224.26 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 24690877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).