2-phenoxypyridine-4-carbonitrile

C12H8N2O — CID 24704536

IUPAC2-phenoxypyridine-4-carbonitrile
SMILESN#Cc1ccnc(Oc2ccccc2)c1
InChIInChI=1S/C12H8N2O/c13-9-10-6-7-14-12(8-10)15-11-4-2-1-3-5-11/h1-8H
InChIKeyCRIVCEBEXJZQRH-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.75
Rot. Bonds2

About 2-phenoxypyridine-4-carbonitrile

2-phenoxypyridine-4-carbonitrile (PubChem CID 24704536) has the molecular formula C12H8N2O and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-phenoxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-phenoxypyridine-4-carbonitrile
PubChem CID24704536
Molecular FormulaC12H8N2O
Molecular Weight196.21 g/mol
Exact Mass196.06
IUPAC Name2-phenoxypyridine-4-carbonitrile
SMILESN#Cc1ccnc(Oc2ccccc2)c1
InChIInChI=1S/C12H8N2O/c13-9-10-6-7-14-12(8-10)15-11-4-2-1-3-5-11/h1-8H
InChIKeyCRIVCEBEXJZQRH-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 2-phenoxypyridine-4-carbonitrile?
The IUPAC name of 2-phenoxypyridine-4-carbonitrile (CID 24704536) is 2-phenoxypyridine-4-carbonitrile.
What is the SMILES notation for 2-phenoxypyridine-4-carbonitrile?
The canonical SMILES for 2-phenoxypyridine-4-carbonitrile is N#Cc1ccnc(Oc2ccccc2)c1.
What is the InChIKey of 2-phenoxypyridine-4-carbonitrile?
The InChIKey is CRIVCEBEXJZQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O/c13-9-10-6-7-14-12(8-10)15-11-4-2-1-3-5-11/h1-8H.
What are the key properties of 2-phenoxypyridine-4-carbonitrile?
2-phenoxypyridine-4-carbonitrile 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 2-phenoxypyridine-4-carbonitrile is sourced from PubChem (CID 24704536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).