1-ethoxy-4H-pyridine

C7H11NO — CID 20549679

IUPAC1-ethoxy-4H-pyridine
SMILESCCON1C=CCC=C1
InChIInChI=1S/C7H11NO/c1-2-9-8-6-4-3-5-7-8/h4-7H,2-3H2,1H3
InChIKeyXAHHVJXIQOGDRP-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.67
Rot. Bonds2

About 1-ethoxy-4H-pyridine

1-ethoxy-4H-pyridine (PubChem CID 20549679) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-ethoxy-4H-pyridine.

Molecular Properties

Compound Name1-ethoxy-4H-pyridine
PubChem CID20549679
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1-ethoxy-4H-pyridine
SMILESCCON1C=CCC=C1
InChIInChI=1S/C7H11NO/c1-2-9-8-6-4-3-5-7-8/h4-7H,2-3H2,1H3
InChIKeyXAHHVJXIQOGDRP-UHFFFAOYSA-N
XLogP1.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-5,6-dihydrooxazine
CID 20162715
2-Methyloxazine
CID 22999523
Ethoxy-dihydropyrrole
CID 69085960
2-Vinyl-3,4-dihydrooxazine
CID 69792050
Ethoxy-1,4,5,6-tetrahydropyridine
CID 129779094
2-Ethyl-5,6-dihydrooxazine
CID 171037587
2-Isopropyl-5,6-dihydrooxazine
CID 171037588
2,5-dimethyl-5H-1,2-oxazole
CID 18779438
2,2-Dimethyloxazin-2-ium
CID 19784603
2-Ethenyl-6-ethyl-5,6-dihydrooxazine
CID 20186127
2-Ethyloxazine
CID 22999541
2-[(E)-but-1-enyl]oxazine
CID 23067243

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4H-pyridine?
The IUPAC name of 1-ethoxy-4H-pyridine (CID 20549679) is 1-ethoxy-4H-pyridine.
What is the SMILES notation for 1-ethoxy-4H-pyridine?
The canonical SMILES for 1-ethoxy-4H-pyridine is CCON1C=CCC=C1.
What is the InChIKey of 1-ethoxy-4H-pyridine?
The InChIKey is XAHHVJXIQOGDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-9-8-6-4-3-5-7-8/h4-7H,2-3H2,1H3.
What are the key properties of 1-ethoxy-4H-pyridine?
1-ethoxy-4H-pyridine has a molecular weight of 125.17 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4H-pyridine is sourced from PubChem (CID 20549679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).