5,6-diethylpyridine-3-carbonitrile

C10H12N2 — CID 18177672

IUPAC5,6-diethylpyridine-3-carbonitrile
SMILESCCc1cc(C#N)cnc1CC
InChIInChI=1S/C10H12N2/c1-3-9-5-8(6-11)7-12-10(9)4-2/h5,7H,3-4H2,1-2H3
InChIKeyAVYSNSWABFRLCT-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.08
Rot. Bonds2

About 5,6-diethylpyridine-3-carbonitrile

5,6-diethylpyridine-3-carbonitrile (PubChem CID 18177672) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 5,6-diethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5,6-diethylpyridine-3-carbonitrile
PubChem CID18177672
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name5,6-diethylpyridine-3-carbonitrile
SMILESCCc1cc(C#N)cnc1CC
InChIInChI=1S/C10H12N2/c1-3-9-5-8(6-11)7-12-10(9)4-2/h5,7H,3-4H2,1-2H3
InChIKeyAVYSNSWABFRLCT-UHFFFAOYSA-N
XLogP2.08
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethylpyridine-3-carbonitrile?
The IUPAC name of 5,6-diethylpyridine-3-carbonitrile (CID 18177672) is 5,6-diethylpyridine-3-carbonitrile.
What is the SMILES notation for 5,6-diethylpyridine-3-carbonitrile?
The canonical SMILES for 5,6-diethylpyridine-3-carbonitrile is CCc1cc(C#N)cnc1CC.
What is the InChIKey of 5,6-diethylpyridine-3-carbonitrile?
The InChIKey is AVYSNSWABFRLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-3-9-5-8(6-11)7-12-10(9)4-2/h5,7H,3-4H2,1-2H3.
What are the key properties of 5,6-diethylpyridine-3-carbonitrile?
5,6-diethylpyridine-3-carbonitrile has a molecular weight of 160.22 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethylpyridine-3-carbonitrile is sourced from PubChem (CID 18177672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).