5-ethyl-1-methoxy-2H-pyridine

C8H13NO — CID 142096028

IUPAC5-ethyl-1-methoxy-2H-pyridine
SMILESCCC1=CN(OC)CC=C1
InChIInChI=1S/C8H13NO/c1-3-8-5-4-6-9(7-8)10-2/h4-5,7H,3,6H2,1-2H3
InChIKeyJWHFADDPGBHUIH-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.71
Rot. Bonds2

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

5-ethyl-1-methoxy-2H-pyridine (PubChem CID 142096028) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 5-ethyl-1-methoxy-2H-pyridine.

Molecular Properties

Compound Name5-ethyl-1-methoxy-2H-pyridine
PubChem CID142096028
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name5-ethyl-1-methoxy-2H-pyridine
SMILESCCC1=CN(OC)CC=C1
InChIInChI=1S/C8H13NO/c1-3-8-5-4-6-9(7-8)10-2/h4-5,7H,3,6H2,1-2H3
InChIKeyJWHFADDPGBHUIH-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 5-ethyl-1-methoxy-2H-pyridine?
The IUPAC name of 5-ethyl-1-methoxy-2H-pyridine (CID 142096028) is 5-ethyl-1-methoxy-2H-pyridine.
What is the SMILES notation for 5-ethyl-1-methoxy-2H-pyridine?
The canonical SMILES for 5-ethyl-1-methoxy-2H-pyridine is CCC1=CN(OC)CC=C1.
What is the InChIKey of 5-ethyl-1-methoxy-2H-pyridine?
The InChIKey is JWHFADDPGBHUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-8-5-4-6-9(7-8)10-2/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 5-ethyl-1-methoxy-2H-pyridine?
5-ethyl-1-methoxy-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 5-ethyl-1-methoxy-2H-pyridine is sourced from PubChem (CID 142096028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).