1,2-dihydropyridine-2-carbonitrile

C6H6N2 — CID 18975087

IUPAC1,2-dihydropyridine-2-carbonitrile
SMILESN#CC1C=CC=CN1
InChIInChI=1S/C6H6N2/c7-5-6-3-1-2-4-8-6/h1-4,6,8H
InChIKeyCZOLCPAGIPAADA-UHFFFAOYSA-N
MW106.13 g/mol
LogP0.55
Rot. Bonds

About 1,2-dihydropyridine-2-carbonitrile

1,2-dihydropyridine-2-carbonitrile (PubChem CID 18975087) has the molecular formula C6H6N2 and a molecular weight of 106.13 g/mol. Its IUPAC name is 1,2-dihydropyridine-2-carbonitrile.

Molecular Properties

Compound Name1,2-dihydropyridine-2-carbonitrile
PubChem CID18975087
Molecular FormulaC6H6N2
Molecular Weight106.13 g/mol
Exact Mass106.05
IUPAC Name1,2-dihydropyridine-2-carbonitrile
SMILESN#CC1C=CC=CN1
InChIInChI=1S/C6H6N2/c7-5-6-3-1-2-4-8-6/h1-4,6,8H
InChIKeyCZOLCPAGIPAADA-UHFFFAOYSA-N
XLogP0.55
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.13
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyridine-2-carbonitrile?
The IUPAC name of 1,2-dihydropyridine-2-carbonitrile (CID 18975087) is 1,2-dihydropyridine-2-carbonitrile.
What is the SMILES notation for 1,2-dihydropyridine-2-carbonitrile?
The canonical SMILES for 1,2-dihydropyridine-2-carbonitrile is N#CC1C=CC=CN1.
What is the InChIKey of 1,2-dihydropyridine-2-carbonitrile?
The InChIKey is CZOLCPAGIPAADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2/c7-5-6-3-1-2-4-8-6/h1-4,6,8H.
What are the key properties of 1,2-dihydropyridine-2-carbonitrile?
1,2-dihydropyridine-2-carbonitrile has a molecular weight of 106.13 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyridine-2-carbonitrile is sourced from PubChem (CID 18975087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).