3,6-dimethyl-2,3-dihydropyridine-5-carbonitrile

C8H10N2 — CID 137427570

IUPAC3,6-dimethyl-2,3-dihydropyridine-5-carbonitrile
SMILESCC1=NCC(C)C=C1C#N
InChIInChI=1S/C8H10N2/c1-6-3-8(4-9)7(2)10-5-6/h3,6H,5H2,1-2H3
InChIKeyAYDDGWYYSUFPGV-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.55
Rot. Bonds

About 3,6-dimethyl-2,3-dihydropyridine-5-carbonitrile

3,6-dimethyl-2,3-dihydropyridine-5-carbonitrile (PubChem CID 137427570) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 3,6-dimethyl-2,3-dihydropyridine-5-carbonitrile.

Molecular Properties

Compound Name3,6-dimethyl-2,3-dihydropyridine-5-carbonitrile
PubChem CID137427570
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name3,6-dimethyl-2,3-dihydropyridine-5-carbonitrile
SMILESCC1=NCC(C)C=C1C#N
InChIInChI=1S/C8H10N2/c1-6-3-8(4-9)7(2)10-5-6/h3,6H,5H2,1-2H3
InChIKeyAYDDGWYYSUFPGV-UHFFFAOYSA-N
XLogP1.55
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,6-dimethyl-2,3-dihydropyridine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2,3-dihydropyridine-5-carbonitrile?
The IUPAC name of 3,6-dimethyl-2,3-dihydropyridine-5-carbonitrile (CID 137427570) is 3,6-dimethyl-2,3-dihydropyridine-5-carbonitrile.
What is the SMILES notation for 3,6-dimethyl-2,3-dihydropyridine-5-carbonitrile?
The canonical SMILES for 3,6-dimethyl-2,3-dihydropyridine-5-carbonitrile is CC1=NCC(C)C=C1C#N.
What is the InChIKey of 3,6-dimethyl-2,3-dihydropyridine-5-carbonitrile?
The InChIKey is AYDDGWYYSUFPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-6-3-8(4-9)7(2)10-5-6/h3,6H,5H2,1-2H3.
What are the key properties of 3,6-dimethyl-2,3-dihydropyridine-5-carbonitrile?
3,6-dimethyl-2,3-dihydropyridine-5-carbonitrile has a molecular weight of 134.18 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2,3-dihydropyridine-5-carbonitrile is sourced from PubChem (CID 137427570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).