2,3,6-trimethylpyridine

C8H11N — CID 15100

IUPAC2,3,6-trimethylpyridine
SMILESCc1ccc(C)c(C)n1
InChIInChI=1S/C8H11N/c1-6-4-5-7(2)9-8(6)3/h4-5H,1-3H3
InChIKeyUTBIMNXEDGNJFE-UHFFFAOYSA-N
MW121.18 g/mol
LogP2.01
Rot. Bonds

About 2,3,6-trimethylpyridine

2,3,6-trimethylpyridine (PubChem CID 15100) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 2,3,6-trimethylpyridine.

Molecular Properties

Compound Name2,3,6-trimethylpyridine
PubChem CID15100
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name2,3,6-trimethylpyridine
SMILESCc1ccc(C)c(C)n1
InChIInChI=1S/C8H11N/c1-6-4-5-7(2)9-8(6)3/h4-5H,1-3H3
InChIKeyUTBIMNXEDGNJFE-UHFFFAOYSA-N
XLogP2.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethylpyridine?
The IUPAC name of 2,3,6-trimethylpyridine (CID 15100) is 2,3,6-trimethylpyridine.
What is the SMILES notation for 2,3,6-trimethylpyridine?
The canonical SMILES for 2,3,6-trimethylpyridine is Cc1ccc(C)c(C)n1.
What is the InChIKey of 2,3,6-trimethylpyridine?
The InChIKey is UTBIMNXEDGNJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-6-4-5-7(2)9-8(6)3/h4-5H,1-3H3.
What are the key properties of 2,3,6-trimethylpyridine?
2,3,6-trimethylpyridine has a molecular weight of 121.18 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethylpyridine is sourced from PubChem (CID 15100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).