2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile

C9H9N3 — CID 40513534

IUPAC2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=NC(C)=C(C#N)CC1C#N
InChIInChI=1S/C9H9N3/c1-6-8(4-10)3-9(5-11)7(2)12-6/h8H,3H2,1-2H3
InChIKeyASZLXYDZNBOFTR-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.79
Rot. Bonds

About 2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile

2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 40513534) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID40513534
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=NC(C)=C(C#N)CC1C#N
InChIInChI=1S/C9H9N3/c1-6-8(4-10)3-9(5-11)7(2)12-6/h8H,3H2,1-2H3
InChIKeyASZLXYDZNBOFTR-UHFFFAOYSA-N
XLogP1.79
TPSA59.94 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile (CID 40513534) is 2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile is CC1=NC(C)=C(C#N)CC1C#N.
What is the InChIKey of 2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is ASZLXYDZNBOFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c1-6-8(4-10)3-9(5-11)7(2)12-6/h8H,3H2,1-2H3.
What are the key properties of 2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile?
2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 159.19 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 40513534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).