1,2,6-trimethyl-4H-pyridine

C8H13N — CID 118906962

IUPAC1,2,6-trimethyl-4H-pyridine
SMILESCC1=CCC=C(C)N1C
InChIInChI=1S/C8H13N/c1-7-5-4-6-8(2)9(7)3/h5-6H,4H2,1-3H3
InChIKeyVVIJSKXBQGQBPY-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.13
Rot. Bonds

About 1,2,6-trimethyl-4H-pyridine

1,2,6-trimethyl-4H-pyridine (PubChem CID 118906962) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 1,2,6-trimethyl-4H-pyridine.

Molecular Properties

Compound Name1,2,6-trimethyl-4H-pyridine
PubChem CID118906962
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name1,2,6-trimethyl-4H-pyridine
SMILESCC1=CCC=C(C)N1C
InChIInChI=1S/C8H13N/c1-7-5-4-6-8(2)9(7)3/h5-6H,4H2,1-3H3
InChIKeyVVIJSKXBQGQBPY-UHFFFAOYSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,6-trimethyl-4H-pyridine?
The IUPAC name of 1,2,6-trimethyl-4H-pyridine (CID 118906962) is 1,2,6-trimethyl-4H-pyridine.
What is the SMILES notation for 1,2,6-trimethyl-4H-pyridine?
The canonical SMILES for 1,2,6-trimethyl-4H-pyridine is CC1=CCC=C(C)N1C.
What is the InChIKey of 1,2,6-trimethyl-4H-pyridine?
The InChIKey is VVIJSKXBQGQBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-7-5-4-6-8(2)9(7)3/h5-6H,4H2,1-3H3.
What are the key properties of 1,2,6-trimethyl-4H-pyridine?
1,2,6-trimethyl-4H-pyridine has a molecular weight of 123.20 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6-trimethyl-4H-pyridine is sourced from PubChem (CID 118906962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).