4-(cyanomethyl)pyridine-2,6-dicarbonitrile

C9H4N4 — CID 166913297

IUPAC4-(cyanomethyl)pyridine-2,6-dicarbonitrile
SMILESN#CCc1cc(C#N)nc(C#N)c1
InChIInChI=1S/C9H4N4/c10-2-1-7-3-8(5-11)13-9(4-7)6-12/h3-4H,1H2
InChIKeyBUZOCUAZPJLJEE-UHFFFAOYSA-N
MW168.16 g/mol
LogP0.89
Rot. Bonds1

About 4-(cyanomethyl)pyridine-2,6-dicarbonitrile

4-(cyanomethyl)pyridine-2,6-dicarbonitrile (PubChem CID 166913297) has the molecular formula C9H4N4 and a molecular weight of 168.16 g/mol. Its IUPAC name is 4-(cyanomethyl)pyridine-2,6-dicarbonitrile.

Molecular Properties

Compound Name4-(cyanomethyl)pyridine-2,6-dicarbonitrile
PubChem CID166913297
Molecular FormulaC9H4N4
Molecular Weight168.16 g/mol
Exact Mass168.04
IUPAC Name4-(cyanomethyl)pyridine-2,6-dicarbonitrile
SMILESN#CCc1cc(C#N)nc(C#N)c1
InChIInChI=1S/C9H4N4/c10-2-1-7-3-8(5-11)13-9(4-7)6-12/h3-4H,1H2
InChIKeyBUZOCUAZPJLJEE-UHFFFAOYSA-N
XLogP0.89
TPSA84.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyanomethyl)pyridine-2,6-dicarbonitrile?
The IUPAC name of 4-(cyanomethyl)pyridine-2,6-dicarbonitrile (CID 166913297) is 4-(cyanomethyl)pyridine-2,6-dicarbonitrile.
What is the SMILES notation for 4-(cyanomethyl)pyridine-2,6-dicarbonitrile?
The canonical SMILES for 4-(cyanomethyl)pyridine-2,6-dicarbonitrile is N#CCc1cc(C#N)nc(C#N)c1.
What is the InChIKey of 4-(cyanomethyl)pyridine-2,6-dicarbonitrile?
The InChIKey is BUZOCUAZPJLJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4N4/c10-2-1-7-3-8(5-11)13-9(4-7)6-12/h3-4H,1H2.
What are the key properties of 4-(cyanomethyl)pyridine-2,6-dicarbonitrile?
4-(cyanomethyl)pyridine-2,6-dicarbonitrile has a molecular weight of 168.16 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyanomethyl)pyridine-2,6-dicarbonitrile is sourced from PubChem (CID 166913297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).