2,6-ditert-butylpyridine-3,5-dicarbonitrile

C15H19N3 — CID 10377050

IUPAC2,6-ditert-butylpyridine-3,5-dicarbonitrile
SMILESCC(C)(C)c1nc(C(C)(C)C)c(C#N)cc1C#N
InChIInChI=1S/C15H19N3/c1-14(2,3)12-10(8-16)7-11(9-17)13(18-12)15(4,5)6/h7H,1-6H3
InChIKeyFXVPUDOMNQNCMW-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.42
Rot. Bonds

About 2,6-ditert-butylpyridine-3,5-dicarbonitrile

2,6-ditert-butylpyridine-3,5-dicarbonitrile (PubChem CID 10377050) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2,6-ditert-butylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,6-ditert-butylpyridine-3,5-dicarbonitrile
PubChem CID10377050
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2,6-ditert-butylpyridine-3,5-dicarbonitrile
SMILESCC(C)(C)c1nc(C(C)(C)C)c(C#N)cc1C#N
InChIInChI=1S/C15H19N3/c1-14(2,3)12-10(8-16)7-11(9-17)13(18-12)15(4,5)6/h7H,1-6H3
InChIKeyFXVPUDOMNQNCMW-UHFFFAOYSA-N
XLogP3.42
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2,6-ditert-butyl-4-methylpyridine-3,5-dicarbonitrile
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CID 121251915
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CID 71742656
2-anilino-6-tert-butylpyridine-3-carbonitrile
CID 167790421
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CID 66972136
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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2,6-ditert-butylpyridine-3,5-dicarbonitrile (CID 10377050) is 2,6-ditert-butylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,6-ditert-butylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,6-ditert-butylpyridine-3,5-dicarbonitrile is CC(C)(C)c1nc(C(C)(C)C)c(C#N)cc1C#N.
What is the InChIKey of 2,6-ditert-butylpyridine-3,5-dicarbonitrile?
The InChIKey is FXVPUDOMNQNCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-14(2,3)12-10(8-16)7-11(9-17)13(18-12)15(4,5)6/h7H,1-6H3.
What are the key properties of 2,6-ditert-butylpyridine-3,5-dicarbonitrile?
2,6-ditert-butylpyridine-3,5-dicarbonitrile has a molecular weight of 241.34 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 10377050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).