2,6-ditert-butyl-4-methylpyridine-3,5-dicarbonitrile

C16H21N3 — CID 852569

IUPAC2,6-ditert-butyl-4-methylpyridine-3,5-dicarbonitrile
SMILESCc1c(C#N)c(C(C)(C)C)nc(C(C)(C)C)c1C#N
InChIInChI=1S/C16H21N3/c1-10-11(8-17)13(15(2,3)4)19-14(12(10)9-18)16(5,6)7/h1-7H3
InChIKeyWNFUPUXSQUORMU-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.73
Rot. Bonds

About 2,6-ditert-butyl-4-methylpyridine-3,5-dicarbonitrile

2,6-ditert-butyl-4-methylpyridine-3,5-dicarbonitrile (PubChem CID 852569) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-methylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,6-ditert-butyl-4-methylpyridine-3,5-dicarbonitrile
PubChem CID852569
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name2,6-ditert-butyl-4-methylpyridine-3,5-dicarbonitrile
SMILESCc1c(C#N)c(C(C)(C)C)nc(C(C)(C)C)c1C#N
InChIInChI=1S/C16H21N3/c1-10-11(8-17)13(15(2,3)4)19-14(12(10)9-18)16(5,6)7/h1-7H3
InChIKeyWNFUPUXSQUORMU-UHFFFAOYSA-N
XLogP3.73
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-methylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2,6-ditert-butyl-4-methylpyridine-3,5-dicarbonitrile (CID 852569) is 2,6-ditert-butyl-4-methylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,6-ditert-butyl-4-methylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,6-ditert-butyl-4-methylpyridine-3,5-dicarbonitrile is Cc1c(C#N)c(C(C)(C)C)nc(C(C)(C)C)c1C#N.
What is the InChIKey of 2,6-ditert-butyl-4-methylpyridine-3,5-dicarbonitrile?
The InChIKey is WNFUPUXSQUORMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-10-11(8-17)13(15(2,3)4)19-14(12(10)9-18)16(5,6)7/h1-7H3.
What are the key properties of 2,6-ditert-butyl-4-methylpyridine-3,5-dicarbonitrile?
2,6-ditert-butyl-4-methylpyridine-3,5-dicarbonitrile has a molecular weight of 255.36 g/mol, XLogP of 3.73, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-methylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 852569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).