3-ethylpyridine-2-carbonitrile

C8H8N2 — CID 13415151

IUPAC3-ethylpyridine-2-carbonitrile
SMILESCCc1cccnc1C#N
InChIInChI=1S/C8H8N2/c1-2-7-4-3-5-10-8(7)6-9/h3-5H,2H2,1H3
InChIKeyCOPNNCNAIOAIDF-UHFFFAOYSA-N
MW132.17 g/mol
LogP1.52
Rot. Bonds1

About 3-ethylpyridine-2-carbonitrile

3-ethylpyridine-2-carbonitrile (PubChem CID 13415151) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 3-ethylpyridine-2-carbonitrile.

Molecular Properties

Compound Name3-ethylpyridine-2-carbonitrile
PubChem CID13415151
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name3-ethylpyridine-2-carbonitrile
SMILESCCc1cccnc1C#N
InChIInChI=1S/C8H8N2/c1-2-7-4-3-5-10-8(7)6-9/h3-5H,2H2,1H3
InChIKeyCOPNNCNAIOAIDF-UHFFFAOYSA-N
XLogP1.52
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethylpyridine-2-carbonitrile?
The IUPAC name of 3-ethylpyridine-2-carbonitrile (CID 13415151) is 3-ethylpyridine-2-carbonitrile.
What is the SMILES notation for 3-ethylpyridine-2-carbonitrile?
The canonical SMILES for 3-ethylpyridine-2-carbonitrile is CCc1cccnc1C#N.
What is the InChIKey of 3-ethylpyridine-2-carbonitrile?
The InChIKey is COPNNCNAIOAIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-2-7-4-3-5-10-8(7)6-9/h3-5H,2H2,1H3.
What are the key properties of 3-ethylpyridine-2-carbonitrile?
3-ethylpyridine-2-carbonitrile has a molecular weight of 132.17 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpyridine-2-carbonitrile is sourced from PubChem (CID 13415151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).