2,6-dimethyl-2,5-dihydropyridine

C7H11N — CID 90858951

IUPAC2,6-dimethyl-2,5-dihydropyridine
SMILESCC1=NC(C)C=CC1
InChIInChI=1S/C7H11N/c1-6-4-3-5-7(2)8-6/h3-4,6H,5H2,1-2H3
InChIKeyBRBAOZFJKJCGAI-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.80
Rot. Bonds

About 2,6-dimethyl-2,5-dihydropyridine

2,6-dimethyl-2,5-dihydropyridine (PubChem CID 90858951) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 2,6-dimethyl-2,5-dihydropyridine.

Molecular Properties

Compound Name2,6-dimethyl-2,5-dihydropyridine
PubChem CID90858951
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name2,6-dimethyl-2,5-dihydropyridine
SMILESCC1=NC(C)C=CC1
InChIInChI=1S/C7H11N/c1-6-4-3-5-7(2)8-6/h3-4,6H,5H2,1-2H3
InChIKeyBRBAOZFJKJCGAI-UHFFFAOYSA-N
XLogP1.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-2,5-dihydropyridine?
The IUPAC name of 2,6-dimethyl-2,5-dihydropyridine (CID 90858951) is 2,6-dimethyl-2,5-dihydropyridine.
What is the SMILES notation for 2,6-dimethyl-2,5-dihydropyridine?
The canonical SMILES for 2,6-dimethyl-2,5-dihydropyridine is CC1=NC(C)C=CC1.
What is the InChIKey of 2,6-dimethyl-2,5-dihydropyridine?
The InChIKey is BRBAOZFJKJCGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-6-4-3-5-7(2)8-6/h3-4,6H,5H2,1-2H3.
What are the key properties of 2,6-dimethyl-2,5-dihydropyridine?
2,6-dimethyl-2,5-dihydropyridine has a molecular weight of 109.17 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-2,5-dihydropyridine is sourced from PubChem (CID 90858951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).