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

C8H13N — CID 123648615

IUPAC1,4,6-trimethyl-2H-pyridine
SMILESCC1=CCN(C)C(C)=C1
InChIInChI=1S/C8H13N/c1-7-4-5-9(3)8(2)6-7/h4,6H,5H2,1-3H3
InChIKeyWUJHVFRUXOBLBT-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.78
Rot. Bonds

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

1,4,6-trimethyl-2H-pyridine (PubChem CID 123648615) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 1,4,6-trimethyl-2H-pyridine.

Molecular Properties

Compound Name1,4,6-trimethyl-2H-pyridine
PubChem CID123648615
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name1,4,6-trimethyl-2H-pyridine
SMILESCC1=CCN(C)C(C)=C1
InChIInChI=1S/C8H13N/c1-7-4-5-9(3)8(2)6-7/h4,6H,5H2,1-3H3
InChIKeyWUJHVFRUXOBLBT-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,4,6-trimethyl-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,8-Dimethyl-10,10a-dihydropyrido[1,2-a]azepine
CID 21597242
1,3,5-Collidin
CID 22046103
4-vinyl-N-ethylpyridine
CID 22178796
1-Methyl-6-methylidene-2,3-dihydropyridine
CID 58329250
N-methyl-2,6-lutidine
CID 68311864
1,2-Dimethyl-5-vinyl pyridine
CID 69342103
2-(1-Ethyl-2,6-dimethyl-4-pyridinylidene)propanedinitrile
CID 88913628
N,N-dimethyl-4-methylidenecyclohexa-2,5-dien-1-amine
CID 89204023
Dimethylaminofulvene
CID 90007951
1-fluoro-4,5,6-trimethyl-2H-pyridine
CID 87450917
1-fluoro-2,4,6-trimethyl-2H-pyridine
CID 87450919
1-Ethyl-2-methylidene-5-(trifluoromethyl)pyridine
CID 123548735

Frequently Asked Questions

What is the IUPAC name of 1,4,6-trimethyl-2H-pyridine?
The IUPAC name of 1,4,6-trimethyl-2H-pyridine (CID 123648615) is 1,4,6-trimethyl-2H-pyridine.
What is the SMILES notation for 1,4,6-trimethyl-2H-pyridine?
The canonical SMILES for 1,4,6-trimethyl-2H-pyridine is CC1=CCN(C)C(C)=C1.
What is the InChIKey of 1,4,6-trimethyl-2H-pyridine?
The InChIKey is WUJHVFRUXOBLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-7-4-5-9(3)8(2)6-7/h4,6H,5H2,1-3H3.
What are the key properties of 1,4,6-trimethyl-2H-pyridine?
1,4,6-trimethyl-2H-pyridine has a molecular weight of 123.20 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-trimethyl-2H-pyridine is sourced from PubChem (CID 123648615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).