2,3,4-tritert-butyl-6-methylpyridine

C18H31N — CID 21040110

IUPAC2,3,4-tritert-butyl-6-methylpyridine
SMILESCc1cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)n1
InChIInChI=1S/C18H31N/c1-12-11-13(16(2,3)4)14(17(5,6)7)15(19-12)18(8,9)10/h11H,1-10H3
InChIKeyKLTVKIRNFONVJR-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.28
Rot. Bonds

About 2,3,4-tritert-butyl-6-methylpyridine

2,3,4-tritert-butyl-6-methylpyridine (PubChem CID 21040110) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 2,3,4-tritert-butyl-6-methylpyridine.

Molecular Properties

Compound Name2,3,4-tritert-butyl-6-methylpyridine
PubChem CID21040110
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name2,3,4-tritert-butyl-6-methylpyridine
SMILESCc1cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)n1
InChIInChI=1S/C18H31N/c1-12-11-13(16(2,3)4)14(17(5,6)7)15(19-12)18(8,9)10/h11H,1-10H3
InChIKeyKLTVKIRNFONVJR-UHFFFAOYSA-N
XLogP5.28
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-tritert-butyl-6-methylpyridine?
The IUPAC name of 2,3,4-tritert-butyl-6-methylpyridine (CID 21040110) is 2,3,4-tritert-butyl-6-methylpyridine.
What is the SMILES notation for 2,3,4-tritert-butyl-6-methylpyridine?
The canonical SMILES for 2,3,4-tritert-butyl-6-methylpyridine is Cc1cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)n1.
What is the InChIKey of 2,3,4-tritert-butyl-6-methylpyridine?
The InChIKey is KLTVKIRNFONVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-12-11-13(16(2,3)4)14(17(5,6)7)15(19-12)18(8,9)10/h11H,1-10H3.
What are the key properties of 2,3,4-tritert-butyl-6-methylpyridine?
2,3,4-tritert-butyl-6-methylpyridine has a molecular weight of 261.45 g/mol, XLogP of 5.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-tritert-butyl-6-methylpyridine is sourced from PubChem (CID 21040110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).