4-pyridin-3-yloxybenzene-1,2-dicarbonitrile

C13H7N3O — CID 882273

IUPAC4-pyridin-3-yloxybenzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(Oc2cccnc2)cc1C#N
InChIInChI=1S/C13H7N3O/c14-7-10-3-4-12(6-11(10)8-15)17-13-2-1-5-16-9-13/h1-6,9H
InChIKeyPLUZIFDYUWBQSQ-UHFFFAOYSA-N
MW221.22 g/mol
LogP2.62
Rot. Bonds2

About 4-pyridin-3-yloxybenzene-1,2-dicarbonitrile

4-pyridin-3-yloxybenzene-1,2-dicarbonitrile (PubChem CID 882273) has the molecular formula C13H7N3O and a molecular weight of 221.22 g/mol. Its IUPAC name is 4-pyridin-3-yloxybenzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-pyridin-3-yloxybenzene-1,2-dicarbonitrile
PubChem CID882273
Molecular FormulaC13H7N3O
Molecular Weight221.22 g/mol
Exact Mass221.06
IUPAC Name4-pyridin-3-yloxybenzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(Oc2cccnc2)cc1C#N
InChIInChI=1S/C13H7N3O/c14-7-10-3-4-12(6-11(10)8-15)17-13-2-1-5-16-9-13/h1-6,9H
InChIKeyPLUZIFDYUWBQSQ-UHFFFAOYSA-N
XLogP2.62
TPSA69.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yloxybenzene-1,2-dicarbonitrile?
The IUPAC name of 4-pyridin-3-yloxybenzene-1,2-dicarbonitrile (CID 882273) is 4-pyridin-3-yloxybenzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-pyridin-3-yloxybenzene-1,2-dicarbonitrile?
The canonical SMILES for 4-pyridin-3-yloxybenzene-1,2-dicarbonitrile is N#Cc1ccc(Oc2cccnc2)cc1C#N.
What is the InChIKey of 4-pyridin-3-yloxybenzene-1,2-dicarbonitrile?
The InChIKey is PLUZIFDYUWBQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7N3O/c14-7-10-3-4-12(6-11(10)8-15)17-13-2-1-5-16-9-13/h1-6,9H.
What are the key properties of 4-pyridin-3-yloxybenzene-1,2-dicarbonitrile?
4-pyridin-3-yloxybenzene-1,2-dicarbonitrile has a molecular weight of 221.22 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yloxybenzene-1,2-dicarbonitrile is sourced from PubChem (CID 882273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).