4,5,6-tritert-butylpyridine-2,3-dicarbonitrile

C19H27N3 — CID 14321567

IUPAC4,5,6-tritert-butylpyridine-2,3-dicarbonitrile
SMILESCC(C)(C)c1nc(C#N)c(C#N)c(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C19H27N3/c1-17(2,3)14-12(10-20)13(11-21)22-16(19(7,8)9)15(14)18(4,5)6/h1-9H3
InChIKeyOMMPEMODKIEWSA-UHFFFAOYSA-N
MW297.45 g/mol
LogP4.72
Rot. Bonds

About 4,5,6-tritert-butylpyridine-2,3-dicarbonitrile

4,5,6-tritert-butylpyridine-2,3-dicarbonitrile (PubChem CID 14321567) has the molecular formula C19H27N3 and a molecular weight of 297.45 g/mol. Its IUPAC name is 4,5,6-tritert-butylpyridine-2,3-dicarbonitrile.

Molecular Properties

Compound Name4,5,6-tritert-butylpyridine-2,3-dicarbonitrile
PubChem CID14321567
Molecular FormulaC19H27N3
Molecular Weight297.45 g/mol
Exact Mass297.22
IUPAC Name4,5,6-tritert-butylpyridine-2,3-dicarbonitrile
SMILESCC(C)(C)c1nc(C#N)c(C#N)c(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C19H27N3/c1-17(2,3)14-12(10-20)13(11-21)22-16(19(7,8)9)15(14)18(4,5)6/h1-9H3
InChIKeyOMMPEMODKIEWSA-UHFFFAOYSA-N
XLogP4.72
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-ditert-butyl-4-methylpyridine-3,5-dicarbonitrile
CID 852569
4,5,6-tritert-butyl-2-methylpyrimidine
CID 21040087
4-tert-butyl-5-methyl-1,2-oxazole-3-carbonitrile
CID 59233358
2,6-ditert-butylpyridine-3,5-dicarbonitrile
CID 10377050
5-bromo-3-tert-butyl-1,2-thiazole-4-carbonitrile
CID 73425162
3-tert-butyl-6-(hydroxymethyl)pyrazine-2-carbonitrile
CID 59589297
4-tert-butyl-2-(dimethylamino)-1,3-thiazole-5-carbonitrile
CID 13144618
2-tert-butyl-5-chloro-1,3-oxazole-4-carbonitrile
CID 137347408
CID 167621861
CID 167621861
3,4,5,6-tetratert-butylpyridine-2-carboxylic acid
CID 175885790
6-methyl-4-(trifluoromethyl)pyridine-2,3-dicarbonitrile
CID 43829356
5-amino-1-tert-butylpyrazole-3,4-dicarbonitrile
CID 15389840

Frequently Asked Questions

What is the IUPAC name of 4,5,6-tritert-butylpyridine-2,3-dicarbonitrile?
The IUPAC name of 4,5,6-tritert-butylpyridine-2,3-dicarbonitrile (CID 14321567) is 4,5,6-tritert-butylpyridine-2,3-dicarbonitrile.
What is the SMILES notation for 4,5,6-tritert-butylpyridine-2,3-dicarbonitrile?
The canonical SMILES for 4,5,6-tritert-butylpyridine-2,3-dicarbonitrile is CC(C)(C)c1nc(C#N)c(C#N)c(C(C)(C)C)c1C(C)(C)C.
What is the InChIKey of 4,5,6-tritert-butylpyridine-2,3-dicarbonitrile?
The InChIKey is OMMPEMODKIEWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3/c1-17(2,3)14-12(10-20)13(11-21)22-16(19(7,8)9)15(14)18(4,5)6/h1-9H3.
What are the key properties of 4,5,6-tritert-butylpyridine-2,3-dicarbonitrile?
4,5,6-tritert-butylpyridine-2,3-dicarbonitrile has a molecular weight of 297.45 g/mol, XLogP of 4.72, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-tritert-butylpyridine-2,3-dicarbonitrile is sourced from PubChem (CID 14321567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).