2,4,6-trimethylpyridine-3,5-dicarbonitrile

C10H9N3 — CID 15496442

IUPAC2,4,6-trimethylpyridine-3,5-dicarbonitrile
SMILESCc1nc(C)c(C#N)c(C)c1C#N
InChIInChI=1S/C10H9N3/c1-6-9(4-11)7(2)13-8(3)10(6)5-12/h1-3H3
InChIKeyMNGNULZKYYIOBG-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.75
Rot. Bonds

About 2,4,6-trimethylpyridine-3,5-dicarbonitrile

2,4,6-trimethylpyridine-3,5-dicarbonitrile (PubChem CID 15496442) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2,4,6-trimethylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,4,6-trimethylpyridine-3,5-dicarbonitrile
PubChem CID15496442
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Name2,4,6-trimethylpyridine-3,5-dicarbonitrile
SMILESCc1nc(C)c(C#N)c(C)c1C#N
InChIInChI=1S/C10H9N3/c1-6-9(4-11)7(2)13-8(3)10(6)5-12/h1-3H3
InChIKeyMNGNULZKYYIOBG-UHFFFAOYSA-N
XLogP1.75
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2,4,6-trimethylpyridine-3,5-dicarbonitrile (CID 15496442) is 2,4,6-trimethylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,4,6-trimethylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,4,6-trimethylpyridine-3,5-dicarbonitrile is Cc1nc(C)c(C#N)c(C)c1C#N.
What is the InChIKey of 2,4,6-trimethylpyridine-3,5-dicarbonitrile?
The InChIKey is MNGNULZKYYIOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3/c1-6-9(4-11)7(2)13-8(3)10(6)5-12/h1-3H3.
What are the key properties of 2,4,6-trimethylpyridine-3,5-dicarbonitrile?
2,4,6-trimethylpyridine-3,5-dicarbonitrile has a molecular weight of 171.20 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 15496442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).