6-(2-cyanoethyl)pyridine-2-carbonitrile

C9H7N3 — CID 22939408

IUPAC6-(2-cyanoethyl)pyridine-2-carbonitrile
SMILESN#CCCc1cccc(C#N)n1
InChIInChI=1S/C9H7N3/c10-6-2-5-8-3-1-4-9(7-11)12-8/h1,3-4H,2,5H2
InChIKeyNFRWSEKREJKIAQ-UHFFFAOYSA-N
MW157.18 g/mol
LogP1.41
Rot. Bonds2

About 6-(2-cyanoethyl)pyridine-2-carbonitrile

6-(2-cyanoethyl)pyridine-2-carbonitrile (PubChem CID 22939408) has the molecular formula C9H7N3 and a molecular weight of 157.18 g/mol. Its IUPAC name is 6-(2-cyanoethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(2-cyanoethyl)pyridine-2-carbonitrile
PubChem CID22939408
Molecular FormulaC9H7N3
Molecular Weight157.18 g/mol
Exact Mass157.06
IUPAC Name6-(2-cyanoethyl)pyridine-2-carbonitrile
SMILESN#CCCc1cccc(C#N)n1
InChIInChI=1S/C9H7N3/c10-6-2-5-8-3-1-4-9(7-11)12-8/h1,3-4H,2,5H2
InChIKeyNFRWSEKREJKIAQ-UHFFFAOYSA-N
XLogP1.41
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.18
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyanoethyl)pyridine-2-carbonitrile?
The IUPAC name of 6-(2-cyanoethyl)pyridine-2-carbonitrile (CID 22939408) is 6-(2-cyanoethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(2-cyanoethyl)pyridine-2-carbonitrile?
The canonical SMILES for 6-(2-cyanoethyl)pyridine-2-carbonitrile is N#CCCc1cccc(C#N)n1.
What is the InChIKey of 6-(2-cyanoethyl)pyridine-2-carbonitrile?
The InChIKey is NFRWSEKREJKIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3/c10-6-2-5-8-3-1-4-9(7-11)12-8/h1,3-4H,2,5H2.
What are the key properties of 6-(2-cyanoethyl)pyridine-2-carbonitrile?
6-(2-cyanoethyl)pyridine-2-carbonitrile has a molecular weight of 157.18 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyanoethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 22939408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).