3-ethoxy-4-propoxypyridine

C10H15NO2 — CID 90961233

IUPAC3-ethoxy-4-propoxypyridine
SMILESCCCOc1ccncc1OCC
InChIInChI=1S/C10H15NO2/c1-3-7-13-9-5-6-11-8-10(9)12-4-2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyFKKLBQJICIMWCM-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.27
Rot. Bonds5

About 3-ethoxy-4-propoxypyridine

3-ethoxy-4-propoxypyridine (PubChem CID 90961233) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-ethoxy-4-propoxypyridine.

Molecular Properties

Compound Name3-ethoxy-4-propoxypyridine
PubChem CID90961233
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3-ethoxy-4-propoxypyridine
SMILESCCCOc1ccncc1OCC
InChIInChI=1S/C10H15NO2/c1-3-7-13-9-5-6-11-8-10(9)12-4-2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyFKKLBQJICIMWCM-UHFFFAOYSA-N
XLogP2.27
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-propoxypyridine
CID 91927090
3-ethoxy-4-propylpyridine
CID 176934400
3-propoxypyridine-4-carbonitrile
CID 19432765
ethane;4-ethoxy-3-methylpyridine
CID 177233068
1-(3-ethoxy-4-pyridinyl)ethanol
CID 115013248
N-methyl-1-(4-propoxy-3-pyridinyl)methanamine
CID 81255157
2-methyl-N-[(4-propoxy-3-pyridinyl)methyl]propan-2-amine
CID 81255020
N-[(3-propoxy-4-pyridinyl)methyl]propan-2-amine
CID 105075109
4-[(E)-2-[2-ethoxy-5-propoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine
CID 159504088
1-(4-ethoxy-3-pyridinyl)butan-1-ol
CID 165175799
8-propoxyisoquinolin-5-amine
CID 103139869
N-[(4-ethoxy-3-pyridinyl)methyl]propan-1-amine
CID 81253184

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-propoxypyridine?
The IUPAC name of 3-ethoxy-4-propoxypyridine (CID 90961233) is 3-ethoxy-4-propoxypyridine.
What is the SMILES notation for 3-ethoxy-4-propoxypyridine?
The canonical SMILES for 3-ethoxy-4-propoxypyridine is CCCOc1ccncc1OCC.
What is the InChIKey of 3-ethoxy-4-propoxypyridine?
The InChIKey is FKKLBQJICIMWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-7-13-9-5-6-11-8-10(9)12-4-2/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 3-ethoxy-4-propoxypyridine?
3-ethoxy-4-propoxypyridine has a molecular weight of 181.23 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-propoxypyridine is sourced from PubChem (CID 90961233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).