2,2,6-trimethyl-1H-pyridine

C8H13N — CID 70505081

IUPAC2,2,6-trimethyl-1H-pyridine
SMILESCC1=CC=CC(C)(C)N1
InChIInChI=1S/C8H13N/c1-7-5-4-6-8(2,3)9-7/h4-6,9H,1-3H3
InChIKeyJXTZQOUZDLZDKS-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.83
Rot. Bonds

About 2,2,6-trimethyl-1H-pyridine

2,2,6-trimethyl-1H-pyridine (PubChem CID 70505081) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2,2,6-trimethyl-1H-pyridine.

Molecular Properties

Compound Name2,2,6-trimethyl-1H-pyridine
PubChem CID70505081
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2,2,6-trimethyl-1H-pyridine
SMILESCC1=CC=CC(C)(C)N1
InChIInChI=1S/C8H13N/c1-7-5-4-6-8(2,3)9-7/h4-6,9H,1-3H3
InChIKeyJXTZQOUZDLZDKS-UHFFFAOYSA-N
XLogP1.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-1H-pyridine?
The IUPAC name of 2,2,6-trimethyl-1H-pyridine (CID 70505081) is 2,2,6-trimethyl-1H-pyridine.
What is the SMILES notation for 2,2,6-trimethyl-1H-pyridine?
The canonical SMILES for 2,2,6-trimethyl-1H-pyridine is CC1=CC=CC(C)(C)N1.
What is the InChIKey of 2,2,6-trimethyl-1H-pyridine?
The InChIKey is JXTZQOUZDLZDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-7-5-4-6-8(2,3)9-7/h4-6,9H,1-3H3.
What are the key properties of 2,2,6-trimethyl-1H-pyridine?
2,2,6-trimethyl-1H-pyridine has a molecular weight of 123.20 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-1H-pyridine is sourced from PubChem (CID 70505081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).