2,3-dihydropyridine-4-carbonitrile

C6H6N2 — CID 130331424

IUPAC2,3-dihydropyridine-4-carbonitrile
SMILESN#CC1=CC=NCC1
InChIInChI=1S/C6H6N2/c7-5-6-1-3-8-4-2-6/h1,3H,2,4H2
InChIKeyZOYKNUVOUOCORZ-UHFFFAOYSA-N
MW106.13 g/mol
LogP0.91
Rot. Bonds

About 2,3-dihydropyridine-4-carbonitrile

2,3-dihydropyridine-4-carbonitrile (PubChem CID 130331424) has the molecular formula C6H6N2 and a molecular weight of 106.13 g/mol. Its IUPAC name is 2,3-dihydropyridine-4-carbonitrile.

Molecular Properties

Compound Name2,3-dihydropyridine-4-carbonitrile
PubChem CID130331424
Molecular FormulaC6H6N2
Molecular Weight106.13 g/mol
Exact Mass106.05
IUPAC Name2,3-dihydropyridine-4-carbonitrile
SMILESN#CC1=CC=NCC1
InChIInChI=1S/C6H6N2/c7-5-6-1-3-8-4-2-6/h1,3H,2,4H2
InChIKeyZOYKNUVOUOCORZ-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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyridine-4-carbonitrile?
The IUPAC name of 2,3-dihydropyridine-4-carbonitrile (CID 130331424) is 2,3-dihydropyridine-4-carbonitrile.
What is the SMILES notation for 2,3-dihydropyridine-4-carbonitrile?
The canonical SMILES for 2,3-dihydropyridine-4-carbonitrile is N#CC1=CC=NCC1.
What is the InChIKey of 2,3-dihydropyridine-4-carbonitrile?
The InChIKey is ZOYKNUVOUOCORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2/c7-5-6-1-3-8-4-2-6/h1,3H,2,4H2.
What are the key properties of 2,3-dihydropyridine-4-carbonitrile?
2,3-dihydropyridine-4-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-4-carbonitrile is sourced from PubChem (CID 130331424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).