4-pyridin-3-yloxybenzonitrile

C12H8N2O — CID 43137984

IUPAC4-pyridin-3-yloxybenzonitrile
SMILESN#Cc1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C12H8N2O/c13-8-10-3-5-11(6-4-10)15-12-2-1-7-14-9-12/h1-7,9H
InChIKeyAIFAURQOXGQJRN-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.75
Rot. Bonds2

About 4-pyridin-3-yloxybenzonitrile

4-pyridin-3-yloxybenzonitrile (PubChem CID 43137984) has the molecular formula C12H8N2O and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-pyridin-3-yloxybenzonitrile.

Molecular Properties

Compound Name4-pyridin-3-yloxybenzonitrile
PubChem CID43137984
Molecular FormulaC12H8N2O
Molecular Weight196.21 g/mol
Exact Mass196.06
IUPAC Name4-pyridin-3-yloxybenzonitrile
SMILESN#Cc1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C12H8N2O/c13-8-10-3-5-11(6-4-10)15-12-2-1-7-14-9-12/h1-7,9H
InChIKeyAIFAURQOXGQJRN-UHFFFAOYSA-N
XLogP2.75
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yloxybenzonitrile?
The IUPAC name of 4-pyridin-3-yloxybenzonitrile (CID 43137984) is 4-pyridin-3-yloxybenzonitrile.
What is the SMILES notation for 4-pyridin-3-yloxybenzonitrile?
The canonical SMILES for 4-pyridin-3-yloxybenzonitrile is N#Cc1ccc(Oc2cccnc2)cc1.
What is the InChIKey of 4-pyridin-3-yloxybenzonitrile?
The InChIKey is AIFAURQOXGQJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O/c13-8-10-3-5-11(6-4-10)15-12-2-1-7-14-9-12/h1-7,9H.
What are the key properties of 4-pyridin-3-yloxybenzonitrile?
4-pyridin-3-yloxybenzonitrile has a molecular weight of 196.21 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yloxybenzonitrile is sourced from PubChem (CID 43137984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).