2,3-dihydropyridine-3,5-dicarbonitrile

C7H5N3 — CID 67085130

IUPAC2,3-dihydropyridine-3,5-dicarbonitrile
SMILESN#CC1=CC(C#N)CN=C1
InChIInChI=1S/C7H5N3/c8-2-6-1-7(3-9)5-10-4-6/h1,4,7H,5H2
InChIKeyXOEIPOSQCWUSOI-UHFFFAOYSA-N
MW131.14 g/mol
LogP0.66
Rot. Bonds

About 2,3-dihydropyridine-3,5-dicarbonitrile

2,3-dihydropyridine-3,5-dicarbonitrile (PubChem CID 67085130) has the molecular formula C7H5N3 and a molecular weight of 131.14 g/mol. Its IUPAC name is 2,3-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,3-dihydropyridine-3,5-dicarbonitrile
PubChem CID67085130
Molecular FormulaC7H5N3
Molecular Weight131.14 g/mol
Exact Mass131.05
IUPAC Name2,3-dihydropyridine-3,5-dicarbonitrile
SMILESN#CC1=CC(C#N)CN=C1
InChIInChI=1S/C7H5N3/c8-2-6-1-7(3-9)5-10-4-6/h1,4,7H,5H2
InChIKeyXOEIPOSQCWUSOI-UHFFFAOYSA-N
XLogP0.66
TPSA59.94 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.14
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Dihydropyridine-3-carbonitrile
CID 53947524
2,3-Dihydropyridine-4-carbonitrile
CID 130331424
6-Fluoro-2,3-dihydropyridine-5-carbonitrile
CID 123606408
2,3-Dihydropyridine-3-carbonitrile
CID 67277390
2,3-Dihydropyridine-5-carbonitrile
CID 70043575
2,5-Dihydropyridine-5-carbonitrile
CID 91426214
(E)-2-(methyliminomethyl)pent-2-enenitrile
CID 123220848
3-Bromo-2,3-dihydropyridine-5-carbonitrile
CID 123245606
3-Methyl-2,3-dihydropyridine-5-carbonitrile
CID 132185218
2-Methyl-2,3-dihydropyridine-5-carbonitrile
CID 154557351
(2R)-2-methyl-2,3-dihydropyridine-5-carbonitrile
CID 163545958
3-(Chloromethyl)-2,3-dihydropyridine-5-carbonitrile
CID 176929928

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 2,3-dihydropyridine-3,5-dicarbonitrile (CID 67085130) is 2,3-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,3-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,3-dihydropyridine-3,5-dicarbonitrile is N#CC1=CC(C#N)CN=C1.
What is the InChIKey of 2,3-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is XOEIPOSQCWUSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3/c8-2-6-1-7(3-9)5-10-4-6/h1,4,7H,5H2.
What are the key properties of 2,3-dihydropyridine-3,5-dicarbonitrile?
2,3-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 131.14 g/mol, XLogP of 0.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 67085130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).