3-pyridin-3-yl-5,6-dihydro-1,4,2-dioxazine

C8H8N2O2 — CID 14879541

IUPAC3-pyridin-3-yl-5,6-dihydro-1,4,2-dioxazine
SMILESc1cncc(C2=NOCCO2)c1
InChIInChI=1S/C8H8N2O2/c1-2-7(6-9-3-1)8-10-12-5-4-11-8/h1-3,6H,4-5H2
InChIKeyGLXKGCWZRFFSJQ-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.79
Rot. Bonds1

About 3-pyridin-3-yl-5,6-dihydro-1,4,2-dioxazine

3-pyridin-3-yl-5,6-dihydro-1,4,2-dioxazine (PubChem CID 14879541) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 3-pyridin-3-yl-5,6-dihydro-1,4,2-dioxazine.

Molecular Properties

Compound Name3-pyridin-3-yl-5,6-dihydro-1,4,2-dioxazine
PubChem CID14879541
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name3-pyridin-3-yl-5,6-dihydro-1,4,2-dioxazine
SMILESc1cncc(C2=NOCCO2)c1
InChIInChI=1S/C8H8N2O2/c1-2-7(6-9-3-1)8-10-12-5-4-11-8/h1-3,6H,4-5H2
InChIKeyGLXKGCWZRFFSJQ-UHFFFAOYSA-N
XLogP0.79
TPSA43.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopenta[c]azepine
CID 638010
3-(3-methylphenyl)-5,6-dihydro-1,4,2-dioxazine
CID 20698390
3-azulen-6-ylpyridine
CID 86232079
bis(4-pyridin-3-ylphenyl)diazene
CID 101443558
(4S)-4-phenyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole
CID 164886351
5-methyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole
CID 132530511
3-(3,5-diphenylphenyl)pyridine
CID 141411458
3-[4-[2,4-bis(4-phenylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 67990643
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
CID 141390156
CID 141390156
5-phenyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole
CID 569092
4-pyridin-3-ylaniline;dihydrochloride
CID 154574926

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-5,6-dihydro-1,4,2-dioxazine?
The IUPAC name of 3-pyridin-3-yl-5,6-dihydro-1,4,2-dioxazine (CID 14879541) is 3-pyridin-3-yl-5,6-dihydro-1,4,2-dioxazine.
What is the SMILES notation for 3-pyridin-3-yl-5,6-dihydro-1,4,2-dioxazine?
The canonical SMILES for 3-pyridin-3-yl-5,6-dihydro-1,4,2-dioxazine is c1cncc(C2=NOCCO2)c1.
What is the InChIKey of 3-pyridin-3-yl-5,6-dihydro-1,4,2-dioxazine?
The InChIKey is GLXKGCWZRFFSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-2-7(6-9-3-1)8-10-12-5-4-11-8/h1-3,6H,4-5H2.
What are the key properties of 3-pyridin-3-yl-5,6-dihydro-1,4,2-dioxazine?
3-pyridin-3-yl-5,6-dihydro-1,4,2-dioxazine has a molecular weight of 164.16 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-5,6-dihydro-1,4,2-dioxazine is sourced from PubChem (CID 14879541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).