4,5-dipyridin-3-yloxybenzene-1,2-dicarbonitrile

C18H10N4O2 — CID 628668

IUPAC4,5-dipyridin-3-yloxybenzene-1,2-dicarbonitrile
SMILESN#Cc1cc(Oc2cccnc2)c(Oc2cccnc2)cc1C#N
InChIInChI=1S/C18H10N4O2/c19-9-13-7-17(23-15-3-1-5-21-11-15)18(8-14(13)10-20)24-16-4-2-6-22-12-16/h1-8,11-12H
InChIKeyOGVJGKXQSAQKMW-UHFFFAOYSA-N
MW314.30 g/mol
LogP3.80
Rot. Bonds4

About 4,5-dipyridin-3-yloxybenzene-1,2-dicarbonitrile

4,5-dipyridin-3-yloxybenzene-1,2-dicarbonitrile (PubChem CID 628668) has the molecular formula C18H10N4O2 and a molecular weight of 314.30 g/mol. Its IUPAC name is 4,5-dipyridin-3-yloxybenzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4,5-dipyridin-3-yloxybenzene-1,2-dicarbonitrile
PubChem CID628668
Molecular FormulaC18H10N4O2
Molecular Weight314.30 g/mol
Exact Mass314.08
IUPAC Name4,5-dipyridin-3-yloxybenzene-1,2-dicarbonitrile
SMILESN#Cc1cc(Oc2cccnc2)c(Oc2cccnc2)cc1C#N
InChIInChI=1S/C18H10N4O2/c19-9-13-7-17(23-15-3-1-5-21-11-15)18(8-14(13)10-20)24-16-4-2-6-22-12-16/h1-8,11-12H
InChIKeyOGVJGKXQSAQKMW-UHFFFAOYSA-N
XLogP3.80
TPSA91.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(Pyridin-3-yloxy)benzonitrile
CID 43137984
5-Hexyl-2-pyridin-3-yloxyphenol
CID 44450159
RG 13022
CID 5468216
4-Pyridin-3-yloxybenzene-1,2-dicarbonitrile
CID 882273
3-[(2S)-2-amino-3-({5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propyl]benzonitrile
CID 20744801
3-(3,4-Dimethoxyphenyl)-2-(pyridin-3-yl)acrylonitrile
CID 5353927
5-(Benzyloxy)-3,3'-bipyridine
CID 42628229
4-[(R)-2-(3-cyclopentyloxy-4-methoxy-phenyl)-2-pyridin-4-yl-ethyl]-pyridine
CID 44282464
2-((2-Methoxy-5-methylphenoxy)methyl)pyridine
CID 44129642
2,4-Dipyridin-3-yloxybenzonitrile
CID 57395660
3-(3-Chlorophenoxy)-4-pyridin-3-yloxybenzonitrile
CID 57395661
3-[[6-(3-Hydroxyphenyl)-3-pyridinyl]oxy]benzonitrile
CID 71460888

Frequently Asked Questions

What is the IUPAC name of 4,5-dipyridin-3-yloxybenzene-1,2-dicarbonitrile?
The IUPAC name of 4,5-dipyridin-3-yloxybenzene-1,2-dicarbonitrile (CID 628668) is 4,5-dipyridin-3-yloxybenzene-1,2-dicarbonitrile.
What is the SMILES notation for 4,5-dipyridin-3-yloxybenzene-1,2-dicarbonitrile?
The canonical SMILES for 4,5-dipyridin-3-yloxybenzene-1,2-dicarbonitrile is N#Cc1cc(Oc2cccnc2)c(Oc2cccnc2)cc1C#N.
What is the InChIKey of 4,5-dipyridin-3-yloxybenzene-1,2-dicarbonitrile?
The InChIKey is OGVJGKXQSAQKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N4O2/c19-9-13-7-17(23-15-3-1-5-21-11-15)18(8-14(13)10-20)24-16-4-2-6-22-12-16/h1-8,11-12H.
What are the key properties of 4,5-dipyridin-3-yloxybenzene-1,2-dicarbonitrile?
4,5-dipyridin-3-yloxybenzene-1,2-dicarbonitrile has a molecular weight of 314.30 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dipyridin-3-yloxybenzene-1,2-dicarbonitrile is sourced from PubChem (CID 628668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).