2,4-dimethyl-5-(oxiran-2-yl)pyridine

C9H11NO — CID 54046184

IUPAC2,4-dimethyl-5-(oxiran-2-yl)pyridine
SMILESCc1cc(C)c(C2CO2)cn1
InChIInChI=1S/C9H11NO/c1-6-3-7(2)10-4-8(6)9-5-11-9/h3-4,9H,5H2,1-2H3
InChIKeyLPSYXJPXGDXARH-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.77
Rot. Bonds1

About 2,4-dimethyl-5-(oxiran-2-yl)pyridine

2,4-dimethyl-5-(oxiran-2-yl)pyridine (PubChem CID 54046184) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2,4-dimethyl-5-(oxiran-2-yl)pyridine.

Molecular Properties

Compound Name2,4-dimethyl-5-(oxiran-2-yl)pyridine
PubChem CID54046184
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2,4-dimethyl-5-(oxiran-2-yl)pyridine
SMILESCc1cc(C)c(C2CO2)cn1
InChIInChI=1S/C9H11NO/c1-6-3-7(2)10-4-8(6)9-5-11-9/h3-4,9H,5H2,1-2H3
InChIKeyLPSYXJPXGDXARH-UHFFFAOYSA-N
XLogP1.77
TPSA25.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(oxiran-2-yl)pyridine?
The IUPAC name of 2,4-dimethyl-5-(oxiran-2-yl)pyridine (CID 54046184) is 2,4-dimethyl-5-(oxiran-2-yl)pyridine.
What is the SMILES notation for 2,4-dimethyl-5-(oxiran-2-yl)pyridine?
The canonical SMILES for 2,4-dimethyl-5-(oxiran-2-yl)pyridine is Cc1cc(C)c(C2CO2)cn1.
What is the InChIKey of 2,4-dimethyl-5-(oxiran-2-yl)pyridine?
The InChIKey is LPSYXJPXGDXARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-6-3-7(2)10-4-8(6)9-5-11-9/h3-4,9H,5H2,1-2H3.
What are the key properties of 2,4-dimethyl-5-(oxiran-2-yl)pyridine?
2,4-dimethyl-5-(oxiran-2-yl)pyridine has a molecular weight of 149.19 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(oxiran-2-yl)pyridine is sourced from PubChem (CID 54046184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).