6-(pyridin-4-yloxymethyl)pyridine-2-carbonitrile

C12H9N3O — CID 167748201

IUPAC6-(pyridin-4-yloxymethyl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(COc2ccncc2)n1
InChIInChI=1S/C12H9N3O/c13-8-10-2-1-3-11(15-10)9-16-12-4-6-14-7-5-12/h1-7H,9H2
InChIKeyYFTRGTLUQXEPQT-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.93
Rot. Bonds3

About 6-(pyridin-4-yloxymethyl)pyridine-2-carbonitrile

6-(pyridin-4-yloxymethyl)pyridine-2-carbonitrile (PubChem CID 167748201) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 6-(pyridin-4-yloxymethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(pyridin-4-yloxymethyl)pyridine-2-carbonitrile
PubChem CID167748201
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name6-(pyridin-4-yloxymethyl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(COc2ccncc2)n1
InChIInChI=1S/C12H9N3O/c13-8-10-2-1-3-11(15-10)9-16-12-4-6-14-7-5-12/h1-7H,9H2
InChIKeyYFTRGTLUQXEPQT-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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Related Compounds

6-[(3-bromo-4-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 163255214
4-[(6-amino-2-pyridinyl)methoxy]benzonitrile
CID 79239436
2-(pyridin-4-yloxymethyl)pyridine
CID 58505689
2-methyl-6-[[4-(2-pyridin-4-ylphenyl)phenoxy]methyl]pyridine
CID 67026641
6-[[4-(trifluoromethyl)phenyl]methoxymethyl]pyridine-2-carbonitrile
CID 122476956
6-(2-cyanoethyl)pyridine-2-carbonitrile
CID 22939408
3-pyridin-4-yl-2-[4-(quinolin-2-ylmethoxy)phenyl]benzonitrile
CID 44600240
2-[[4-(2-pyridin-4-ylethynyl)phenoxy]methyl]quinoline
CID 59797507
6-[(dimethylamino)methyl]pyridine-2-carbonitrile
CID 18953890
3-(pyridin-2-ylmethoxy)benzonitrile
CID 24695986
4-(quinolin-2-ylmethoxy)benzonitrile
CID 19844724
6-[(4-iodophenoxy)methyl]pyridin-2-amine
CID 79238777

Frequently Asked Questions

What is the IUPAC name of 6-(pyridin-4-yloxymethyl)pyridine-2-carbonitrile?
The IUPAC name of 6-(pyridin-4-yloxymethyl)pyridine-2-carbonitrile (CID 167748201) is 6-(pyridin-4-yloxymethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(pyridin-4-yloxymethyl)pyridine-2-carbonitrile?
The canonical SMILES for 6-(pyridin-4-yloxymethyl)pyridine-2-carbonitrile is N#Cc1cccc(COc2ccncc2)n1.
What is the InChIKey of 6-(pyridin-4-yloxymethyl)pyridine-2-carbonitrile?
The InChIKey is YFTRGTLUQXEPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c13-8-10-2-1-3-11(15-10)9-16-12-4-6-14-7-5-12/h1-7H,9H2.
What are the key properties of 6-(pyridin-4-yloxymethyl)pyridine-2-carbonitrile?
6-(pyridin-4-yloxymethyl)pyridine-2-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 6-(pyridin-4-yloxymethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 167748201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).