2-phenoxy-4-pyridin-3-yloxybenzonitrile

C18H12N2O2 — CID 57399143

IUPAC2-phenoxy-4-pyridin-3-yloxybenzonitrile
SMILESN#Cc1ccc(Oc2cccnc2)cc1Oc1ccccc1
InChIInChI=1S/C18H12N2O2/c19-12-14-8-9-16(21-17-7-4-10-20-13-17)11-18(14)22-15-5-2-1-3-6-15/h1-11,13H
InChIKeyCUBLHYJHOZXYJP-UHFFFAOYSA-N
MW288.31 g/mol
LogP4.54
Rot. Bonds4

About 2-phenoxy-4-pyridin-3-yloxybenzonitrile

2-phenoxy-4-pyridin-3-yloxybenzonitrile (PubChem CID 57399143) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-phenoxy-4-pyridin-3-yloxybenzonitrile.

Molecular Properties

Compound Name2-phenoxy-4-pyridin-3-yloxybenzonitrile
PubChem CID57399143
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Name2-phenoxy-4-pyridin-3-yloxybenzonitrile
SMILESN#Cc1ccc(Oc2cccnc2)cc1Oc1ccccc1
InChIInChI=1S/C18H12N2O2/c19-12-14-8-9-16(21-17-7-4-10-20-13-17)11-18(14)22-15-5-2-1-3-6-15/h1-11,13H
InChIKeyCUBLHYJHOZXYJP-UHFFFAOYSA-N
XLogP4.54
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3E)-3-((2,4-Dimethoxyphenyl)methylene)-3,4,5,6-tetrahydro-2,3'-bipyridine
CID 5310985
4-(Pyridin-3-yloxy)benzonitrile
CID 43137984
4-Pyridin-3-yloxybenzene-1,2-dicarbonitrile
CID 882273
2-amino-7-methoxy-4-(pyridin-3-yl)-4H-chromene-3-carbonitrile
CID 3633856
2-amino-7-methoxy-4-(5-methoxy-3-pyridinyl)-4H-chromene-3-carbonitrile
CID 9944473
3-(2,4,6-Trimethoxybenzylidene)anabaseine
CID 11595246
3-(2,4-Dimethoxybenzyl)-3,4,5,6-tetrahydro-2,3'-bipyridine
CID 46907472
3-Benzyloxypyridine
CID 10012635
4-((5-Methoxy-2-methylphenoxy)methyl)pyridine
CID 46937073
2-Phenoxy-4-phenylnicotinonitrile
CID 1488776
(Z)-3-(3-iodo-4-phenoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile
CID 10070969
3-(2-i-Propoxy-4-methoxybenzylidene)anabaseine
CID 46703035

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-4-pyridin-3-yloxybenzonitrile?
The IUPAC name of 2-phenoxy-4-pyridin-3-yloxybenzonitrile (CID 57399143) is 2-phenoxy-4-pyridin-3-yloxybenzonitrile.
What is the SMILES notation for 2-phenoxy-4-pyridin-3-yloxybenzonitrile?
The canonical SMILES for 2-phenoxy-4-pyridin-3-yloxybenzonitrile is N#Cc1ccc(Oc2cccnc2)cc1Oc1ccccc1.
What is the InChIKey of 2-phenoxy-4-pyridin-3-yloxybenzonitrile?
The InChIKey is CUBLHYJHOZXYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c19-12-14-8-9-16(21-17-7-4-10-20-13-17)11-18(14)22-15-5-2-1-3-6-15/h1-11,13H.
What are the key properties of 2-phenoxy-4-pyridin-3-yloxybenzonitrile?
2-phenoxy-4-pyridin-3-yloxybenzonitrile has a molecular weight of 288.31 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-4-pyridin-3-yloxybenzonitrile is sourced from PubChem (CID 57399143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).