2,4,4,6-tetramethyl-3H-pyridine-3,5-dicarbonitrile

C11H13N3 — CID 7426798

IUPAC2,4,4,6-tetramethyl-3H-pyridine-3,5-dicarbonitrile
SMILESCC1=NC(C)=C(C#N)C(C)(C)C1C#N
InChIInChI=1S/C11H13N3/c1-7-9(5-12)11(3,4)10(6-13)8(2)14-7/h9H,1-4H3
InChIKeyPIADJUGORRDMCC-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.42
Rot. Bonds

About 2,4,4,6-tetramethyl-3H-pyridine-3,5-dicarbonitrile

2,4,4,6-tetramethyl-3H-pyridine-3,5-dicarbonitrile (PubChem CID 7426798) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 2,4,4,6-tetramethyl-3H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,4,4,6-tetramethyl-3H-pyridine-3,5-dicarbonitrile
PubChem CID7426798
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name2,4,4,6-tetramethyl-3H-pyridine-3,5-dicarbonitrile
SMILESCC1=NC(C)=C(C#N)C(C)(C)C1C#N
InChIInChI=1S/C11H13N3/c1-7-9(5-12)11(3,4)10(6-13)8(2)14-7/h9H,1-4H3
InChIKeyPIADJUGORRDMCC-UHFFFAOYSA-N
XLogP2.42
TPSA59.94 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,4,6-tetramethyl-3H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2,4,4,6-tetramethyl-3H-pyridine-3,5-dicarbonitrile (CID 7426798) is 2,4,4,6-tetramethyl-3H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,4,4,6-tetramethyl-3H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,4,4,6-tetramethyl-3H-pyridine-3,5-dicarbonitrile is CC1=NC(C)=C(C#N)C(C)(C)C1C#N.
What is the InChIKey of 2,4,4,6-tetramethyl-3H-pyridine-3,5-dicarbonitrile?
The InChIKey is PIADJUGORRDMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-7-9(5-12)11(3,4)10(6-13)8(2)14-7/h9H,1-4H3.
What are the key properties of 2,4,4,6-tetramethyl-3H-pyridine-3,5-dicarbonitrile?
2,4,4,6-tetramethyl-3H-pyridine-3,5-dicarbonitrile has a molecular weight of 187.25 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,6-tetramethyl-3H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 7426798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).