5-methoxy-1-methyl-2H-pyridine

C7H11NO — CID 123139109

IUPAC5-methoxy-1-methyl-2H-pyridine
SMILESCOC1=CN(C)CC=C1
InChIInChI=1S/C7H11NO/c1-8-5-3-4-7(6-8)9-2/h3-4,6H,5H2,1-2H3
InChIKeyMBCHDFRXEMKRKY-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.98
Rot. Bonds1

About 5-methoxy-1-methyl-2H-pyridine

5-methoxy-1-methyl-2H-pyridine (PubChem CID 123139109) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 5-methoxy-1-methyl-2H-pyridine.

Molecular Properties

Compound Name5-methoxy-1-methyl-2H-pyridine
PubChem CID123139109
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name5-methoxy-1-methyl-2H-pyridine
SMILESCOC1=CN(C)CC=C1
InChIInChI=1S/C7H11NO/c1-8-5-3-4-7(6-8)9-2/h3-4,6H,5H2,1-2H3
InChIKeyMBCHDFRXEMKRKY-UHFFFAOYSA-N
XLogP0.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-2H-pyridine?
The IUPAC name of 5-methoxy-1-methyl-2H-pyridine (CID 123139109) is 5-methoxy-1-methyl-2H-pyridine.
What is the SMILES notation for 5-methoxy-1-methyl-2H-pyridine?
The canonical SMILES for 5-methoxy-1-methyl-2H-pyridine is COC1=CN(C)CC=C1.
What is the InChIKey of 5-methoxy-1-methyl-2H-pyridine?
The InChIKey is MBCHDFRXEMKRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-8-5-3-4-7(6-8)9-2/h3-4,6H,5H2,1-2H3.
What are the key properties of 5-methoxy-1-methyl-2H-pyridine?
5-methoxy-1-methyl-2H-pyridine has a molecular weight of 125.17 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-2H-pyridine is sourced from PubChem (CID 123139109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).