3-(cyanomethyl)pyridine-2-carbonitrile

C8H5N3 — CID 4672598

IUPAC3-(cyanomethyl)pyridine-2-carbonitrile
SMILESN#CCc1cccnc1C#N
InChIInChI=1S/C8H5N3/c9-4-3-7-2-1-5-11-8(7)6-10/h1-2,5H,3H2
InChIKeyOAZZLWZPBSJOKZ-UHFFFAOYSA-N
MW143.15 g/mol
LogP1.02
Rot. Bonds1

About 3-(cyanomethyl)pyridine-2-carbonitrile

3-(cyanomethyl)pyridine-2-carbonitrile (PubChem CID 4672598) has the molecular formula C8H5N3 and a molecular weight of 143.15 g/mol. Its IUPAC name is 3-(cyanomethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(cyanomethyl)pyridine-2-carbonitrile
PubChem CID4672598
Molecular FormulaC8H5N3
Molecular Weight143.15 g/mol
Exact Mass143.05
IUPAC Name3-(cyanomethyl)pyridine-2-carbonitrile
SMILESN#CCc1cccnc1C#N
InChIInChI=1S/C8H5N3/c9-4-3-7-2-1-5-11-8(7)6-10/h1-2,5H,3H2
InChIKeyOAZZLWZPBSJOKZ-UHFFFAOYSA-N
XLogP1.02
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyanomethyl)pyridine-2-carbonitrile?
The IUPAC name of 3-(cyanomethyl)pyridine-2-carbonitrile (CID 4672598) is 3-(cyanomethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-(cyanomethyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-(cyanomethyl)pyridine-2-carbonitrile is N#CCc1cccnc1C#N.
What is the InChIKey of 3-(cyanomethyl)pyridine-2-carbonitrile?
The InChIKey is OAZZLWZPBSJOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3/c9-4-3-7-2-1-5-11-8(7)6-10/h1-2,5H,3H2.
What are the key properties of 3-(cyanomethyl)pyridine-2-carbonitrile?
3-(cyanomethyl)pyridine-2-carbonitrile has a molecular weight of 143.15 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyanomethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 4672598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).