1-ethoxy-5-methyl-2H-pyridine

C8H13NO — CID 70283083

IUPAC1-ethoxy-5-methyl-2H-pyridine
SMILESCCON1C=C(C)C=CC1
InChIInChI=1S/C8H13NO/c1-3-10-9-6-4-5-8(2)7-9/h4-5,7H,3,6H2,1-2H3
InChIKeyGQTJGZIFZSWDNU-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.71
Rot. Bonds2

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

1-ethoxy-5-methyl-2H-pyridine (PubChem CID 70283083) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-ethoxy-5-methyl-2H-pyridine.

Molecular Properties

Compound Name1-ethoxy-5-methyl-2H-pyridine
PubChem CID70283083
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-ethoxy-5-methyl-2H-pyridine
SMILESCCON1C=C(C)C=CC1
InChIInChI=1S/C8H13NO/c1-3-10-9-6-4-5-8(2)7-9/h4-5,7H,3,6H2,1-2H3
InChIKeyGQTJGZIFZSWDNU-UHFFFAOYSA-N
XLogP1.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-5-methyl-2H-pyridine?
The IUPAC name of 1-ethoxy-5-methyl-2H-pyridine (CID 70283083) is 1-ethoxy-5-methyl-2H-pyridine.
What is the SMILES notation for 1-ethoxy-5-methyl-2H-pyridine?
The canonical SMILES for 1-ethoxy-5-methyl-2H-pyridine is CCON1C=C(C)C=CC1.
What is the InChIKey of 1-ethoxy-5-methyl-2H-pyridine?
The InChIKey is GQTJGZIFZSWDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-10-9-6-4-5-8(2)7-9/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 1-ethoxy-5-methyl-2H-pyridine?
1-ethoxy-5-methyl-2H-pyridine has a molecular weight of 139.20 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-5-methyl-2H-pyridine is sourced from PubChem (CID 70283083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).