3-[4-(cyanomethyl)phenoxy]pyridine-4-carbonitrile

C14H9N3O — CID 114287836

IUPAC3-[4-(cyanomethyl)phenoxy]pyridine-4-carbonitrile
SMILESN#CCc1ccc(Oc2cnccc2C#N)cc1
InChIInChI=1S/C14H9N3O/c15-7-5-11-1-3-13(4-2-11)18-14-10-17-8-6-12(14)9-16/h1-4,6,8,10H,5H2
InChIKeyWOJLPTUHLLOKIF-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.81
Rot. Bonds3

About 3-[4-(cyanomethyl)phenoxy]pyridine-4-carbonitrile

3-[4-(cyanomethyl)phenoxy]pyridine-4-carbonitrile (PubChem CID 114287836) has the molecular formula C14H9N3O and a molecular weight of 235.25 g/mol. Its IUPAC name is 3-[4-(cyanomethyl)phenoxy]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[4-(cyanomethyl)phenoxy]pyridine-4-carbonitrile
PubChem CID114287836
Molecular FormulaC14H9N3O
Molecular Weight235.25 g/mol
Exact Mass235.07
IUPAC Name3-[4-(cyanomethyl)phenoxy]pyridine-4-carbonitrile
SMILESN#CCc1ccc(Oc2cnccc2C#N)cc1
InChIInChI=1S/C14H9N3O/c15-7-5-11-1-3-13(4-2-11)18-14-10-17-8-6-12(14)9-16/h1-4,6,8,10H,5H2
InChIKeyWOJLPTUHLLOKIF-UHFFFAOYSA-N
XLogP2.81
TPSA69.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyanomethyl)phenoxy]pyridine-4-carbonitrile?
The IUPAC name of 3-[4-(cyanomethyl)phenoxy]pyridine-4-carbonitrile (CID 114287836) is 3-[4-(cyanomethyl)phenoxy]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[4-(cyanomethyl)phenoxy]pyridine-4-carbonitrile?
The canonical SMILES for 3-[4-(cyanomethyl)phenoxy]pyridine-4-carbonitrile is N#CCc1ccc(Oc2cnccc2C#N)cc1.
What is the InChIKey of 3-[4-(cyanomethyl)phenoxy]pyridine-4-carbonitrile?
The InChIKey is WOJLPTUHLLOKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O/c15-7-5-11-1-3-13(4-2-11)18-14-10-17-8-6-12(14)9-16/h1-4,6,8,10H,5H2.
What are the key properties of 3-[4-(cyanomethyl)phenoxy]pyridine-4-carbonitrile?
3-[4-(cyanomethyl)phenoxy]pyridine-4-carbonitrile has a molecular weight of 235.25 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyanomethyl)phenoxy]pyridine-4-carbonitrile is sourced from PubChem (CID 114287836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).