2-[4-(pyridin-2-ylmethoxy)phenyl]acetonitrile

C14H12N2O — CID 24710496

IUPAC2-[4-(pyridin-2-ylmethoxy)phenyl]acetonitrile
SMILESN#CCc1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C14H12N2O/c15-9-8-12-4-6-14(7-5-12)17-11-13-3-1-2-10-16-13/h1-7,10H,8,11H2
InChIKeyHEBWZJBTVOOMCU-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.73
Rot. Bonds4

About 2-[4-(pyridin-2-ylmethoxy)phenyl]acetonitrile

2-[4-(pyridin-2-ylmethoxy)phenyl]acetonitrile (PubChem CID 24710496) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[4-(pyridin-2-ylmethoxy)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(pyridin-2-ylmethoxy)phenyl]acetonitrile
PubChem CID24710496
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name2-[4-(pyridin-2-ylmethoxy)phenyl]acetonitrile
SMILESN#CCc1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C14H12N2O/c15-9-8-12-4-6-14(7-5-12)17-11-13-3-1-2-10-16-13/h1-7,10H,8,11H2
InChIKeyHEBWZJBTVOOMCU-UHFFFAOYSA-N
XLogP2.73
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyridin-2-ylmethoxy)phenyl]acetonitrile?
The IUPAC name of 2-[4-(pyridin-2-ylmethoxy)phenyl]acetonitrile (CID 24710496) is 2-[4-(pyridin-2-ylmethoxy)phenyl]acetonitrile.
What is the SMILES notation for 2-[4-(pyridin-2-ylmethoxy)phenyl]acetonitrile?
The canonical SMILES for 2-[4-(pyridin-2-ylmethoxy)phenyl]acetonitrile is N#CCc1ccc(OCc2ccccn2)cc1.
What is the InChIKey of 2-[4-(pyridin-2-ylmethoxy)phenyl]acetonitrile?
The InChIKey is HEBWZJBTVOOMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c15-9-8-12-4-6-14(7-5-12)17-11-13-3-1-2-10-16-13/h1-7,10H,8,11H2.
What are the key properties of 2-[4-(pyridin-2-ylmethoxy)phenyl]acetonitrile?
2-[4-(pyridin-2-ylmethoxy)phenyl]acetonitrile has a molecular weight of 224.26 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyridin-2-ylmethoxy)phenyl]acetonitrile is sourced from PubChem (CID 24710496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).