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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Related Compounds

CID 7953
CID 7953
CID 5311432
CID 5311432
CID 3025961
CID 3025961
CID 15100
CID 15100
CID 522401
CID 522401
CID 14287
CID 14287
CID 72920
CID 72920
CID 68510
CID 68510
CID 74263
CID 74263
CID 98898
CID 98898
CID 3110002
CID 3110002
CID 11424570
CID 11424570

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).