4-pyridin-2-yloxane-4-carbonitrile

C11H12N2O — CID 71528287

IUPAC4-pyridin-2-yloxane-4-carbonitrile
SMILESN#CC1(c2ccccn2)CCOCC1
InChIInChI=1S/C11H12N2O/c12-9-11(4-7-14-8-5-11)10-3-1-2-6-13-10/h1-3,6H,4-5,7-8H2
InChIKeyGUGBUMPRAFZQTD-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.65
Rot. Bonds1

About 4-pyridin-2-yloxane-4-carbonitrile

4-pyridin-2-yloxane-4-carbonitrile (PubChem CID 71528287) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-pyridin-2-yloxane-4-carbonitrile.

Molecular Properties

Compound Name4-pyridin-2-yloxane-4-carbonitrile
PubChem CID71528287
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name4-pyridin-2-yloxane-4-carbonitrile
SMILESN#CC1(c2ccccn2)CCOCC1
InChIInChI=1S/C11H12N2O/c12-9-11(4-7-14-8-5-11)10-3-1-2-6-13-10/h1-3,6H,4-5,7-8H2
InChIKeyGUGBUMPRAFZQTD-UHFFFAOYSA-N
XLogP1.65
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yloxane-4-carbonitrile?
The IUPAC name of 4-pyridin-2-yloxane-4-carbonitrile (CID 71528287) is 4-pyridin-2-yloxane-4-carbonitrile.
What is the SMILES notation for 4-pyridin-2-yloxane-4-carbonitrile?
The canonical SMILES for 4-pyridin-2-yloxane-4-carbonitrile is N#CC1(c2ccccn2)CCOCC1.
What is the InChIKey of 4-pyridin-2-yloxane-4-carbonitrile?
The InChIKey is GUGBUMPRAFZQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c12-9-11(4-7-14-8-5-11)10-3-1-2-6-13-10/h1-3,6H,4-5,7-8H2.
What are the key properties of 4-pyridin-2-yloxane-4-carbonitrile?
4-pyridin-2-yloxane-4-carbonitrile has a molecular weight of 188.23 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yloxane-4-carbonitrile is sourced from PubChem (CID 71528287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).