2-(pyridin-4-ylmethoxy)pyridine-4-carbonitrile

C12H9N3O — CID 69247549

IUPAC2-(pyridin-4-ylmethoxy)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(OCc2ccncc2)c1
InChIInChI=1S/C12H9N3O/c13-8-11-3-6-15-12(7-11)16-9-10-1-4-14-5-2-10/h1-7H,9H2
InChIKeyLXILIHDHGLFVFH-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.93
Rot. Bonds3

About 2-(pyridin-4-ylmethoxy)pyridine-4-carbonitrile

2-(pyridin-4-ylmethoxy)pyridine-4-carbonitrile (PubChem CID 69247549) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-(pyridin-4-ylmethoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(pyridin-4-ylmethoxy)pyridine-4-carbonitrile
PubChem CID69247549
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name2-(pyridin-4-ylmethoxy)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(OCc2ccncc2)c1
InChIInChI=1S/C12H9N3O/c13-8-11-3-6-15-12(7-11)16-9-10-1-4-14-5-2-10/h1-7H,9H2
InChIKeyLXILIHDHGLFVFH-UHFFFAOYSA-N
XLogP1.93
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-4-ylmethoxy)pyridine-4-carbonitrile?
The IUPAC name of 2-(pyridin-4-ylmethoxy)pyridine-4-carbonitrile (CID 69247549) is 2-(pyridin-4-ylmethoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(pyridin-4-ylmethoxy)pyridine-4-carbonitrile?
The canonical SMILES for 2-(pyridin-4-ylmethoxy)pyridine-4-carbonitrile is N#Cc1ccnc(OCc2ccncc2)c1.
What is the InChIKey of 2-(pyridin-4-ylmethoxy)pyridine-4-carbonitrile?
The InChIKey is LXILIHDHGLFVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c13-8-11-3-6-15-12(7-11)16-9-10-1-4-14-5-2-10/h1-7H,9H2.
What are the key properties of 2-(pyridin-4-ylmethoxy)pyridine-4-carbonitrile?
2-(pyridin-4-ylmethoxy)pyridine-4-carbonitrile has a molecular weight of 211.22 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-4-ylmethoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 69247549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).