2,3-dihydropyridine-6-carbonitrile

C6H6N2 — CID 154238015

IUPAC2,3-dihydropyridine-6-carbonitrile
SMILESN#CC1=NCCC=C1
InChIInChI=1S/C6H6N2/c7-5-6-3-1-2-4-8-6/h1,3H,2,4H2
InChIKeyATMIICYDNASULT-UHFFFAOYSA-N
MW106.13 g/mol
LogP0.91
Rot. Bonds

About 2,3-dihydropyridine-6-carbonitrile

2,3-dihydropyridine-6-carbonitrile (PubChem CID 154238015) has the molecular formula C6H6N2 and a molecular weight of 106.13 g/mol. Its IUPAC name is 2,3-dihydropyridine-6-carbonitrile.

Molecular Properties

Compound Name2,3-dihydropyridine-6-carbonitrile
PubChem CID154238015
Molecular FormulaC6H6N2
Molecular Weight106.13 g/mol
Exact Mass106.05
IUPAC Name2,3-dihydropyridine-6-carbonitrile
SMILESN#CC1=NCCC=C1
InChIInChI=1S/C6H6N2/c7-5-6-3-1-2-4-8-6/h1,3H,2,4H2
InChIKeyATMIICYDNASULT-UHFFFAOYSA-N
XLogP0.91
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.13
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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

Launch Full Analysis

Related Compounds

4-Methyliminopent-2-enedinitrile
CID 5368434
3-(Cyclohexa-2,4-dien-1-ylideneamino)propanenitrile
CID 22077447
2,5-Dihydropyridine-6-carbonitrile
CID 56626045
2,3-Dihydropyridine-2-carbonitrile
CID 67083631
2,3-Dihydropyridine-3-carbonitrile
CID 67277390
(2S)-2-methyl-2,3-dihydropyridine-6-carbonitrile
CID 67991669
6-Methyl-2,3-dihydropyridine-2-carbonitrile
CID 89073533
2-Iodo-2,3-dihydropyridine-6-carbonitrile
CID 89192877
N-ethylbut-2-enimidoyl cyanide
CID 91608759
2H-pyrrole-5-carbonitrile
CID 119084875
N-(2-methylpropyl)but-2-enimidoyl cyanide
CID 123165582
N-methylpenta-2,4-dienimidoyl cyanide
CID 123260837

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyridine-6-carbonitrile?
The IUPAC name of 2,3-dihydropyridine-6-carbonitrile (CID 154238015) is 2,3-dihydropyridine-6-carbonitrile.
What is the SMILES notation for 2,3-dihydropyridine-6-carbonitrile?
The canonical SMILES for 2,3-dihydropyridine-6-carbonitrile is N#CC1=NCCC=C1.
What is the InChIKey of 2,3-dihydropyridine-6-carbonitrile?
The InChIKey is ATMIICYDNASULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2/c7-5-6-3-1-2-4-8-6/h1,3H,2,4H2.
What are the key properties of 2,3-dihydropyridine-6-carbonitrile?
2,3-dihydropyridine-6-carbonitrile has a molecular weight of 106.13 g/mol, XLogP of 0.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyridine-6-carbonitrile is sourced from PubChem (CID 154238015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).