3-(2,2-difluoroethoxy)-5-ethoxypyridine

C9H11F2NO2 — CID 150828183

IUPAC3-(2,2-difluoroethoxy)-5-ethoxypyridine
SMILESCCOc1cncc(OCC(F)F)c1
InChIInChI=1S/C9H11F2NO2/c1-2-13-7-3-8(5-12-4-7)14-6-9(10)11/h3-5,9H,2,6H2,1H3
InChIKeyKLJLKEHFDVYMKA-UHFFFAOYSA-N
MW203.19 g/mol
LogP2.12
Rot. Bonds5

About 3-(2,2-difluoroethoxy)-5-ethoxypyridine

3-(2,2-difluoroethoxy)-5-ethoxypyridine (PubChem CID 150828183) has the molecular formula C9H11F2NO2 and a molecular weight of 203.19 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-5-ethoxypyridine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-5-ethoxypyridine
PubChem CID150828183
Molecular FormulaC9H11F2NO2
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name3-(2,2-difluoroethoxy)-5-ethoxypyridine
SMILESCCOc1cncc(OCC(F)F)c1
InChIInChI=1S/C9H11F2NO2/c1-2-13-7-3-8(5-12-4-7)14-6-9(10)11/h3-5,9H,2,6H2,1H3
InChIKeyKLJLKEHFDVYMKA-UHFFFAOYSA-N
XLogP2.12
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-5-(2,2-difluoroethoxy)pyridine
CID 167245615
5-(2,2-difluoroethoxy)pyridine-3-carbonitrile
CID 119054448
1-(5-ethoxy-3-pyridinyl)-2,2-difluoro-N-methylethanamine
CID 103517001
3-bromo-5-(2,2-difluoroethoxy)-2-methylpyridine
CID 163242204
[5-(2-ethylbutoxy)-3-pyridinyl]-trifluoroboranuide
CID 82928757
2-(5-ethoxy-3-pyridinyl)-3-methylbutan-1-amine
CID 83884024
2-(3-chlorophenoxy)-1-(5-ethoxy-3-pyridinyl)ethanol
CID 105121340
1-(5-ethoxy-3-pyridinyl)-3-ethylpentane-1,2-diol
CID 103459699
2-(5-ethoxy-3-pyridinyl)-2-fluorobutan-1-amine
CID 112566125
1-(5-ethoxy-3-pyridinyl)-2-phenylbutan-1-amine
CID 105026478
(2-bromo-3,4-difluorophenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 107538741
1-(3,5-dimethylphenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine
CID 105026319

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-5-ethoxypyridine?
The IUPAC name of 3-(2,2-difluoroethoxy)-5-ethoxypyridine (CID 150828183) is 3-(2,2-difluoroethoxy)-5-ethoxypyridine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-5-ethoxypyridine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-5-ethoxypyridine is CCOc1cncc(OCC(F)F)c1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-5-ethoxypyridine?
The InChIKey is KLJLKEHFDVYMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2/c1-2-13-7-3-8(5-12-4-7)14-6-9(10)11/h3-5,9H,2,6H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-5-ethoxypyridine?
3-(2,2-difluoroethoxy)-5-ethoxypyridine has a molecular weight of 203.19 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-5-ethoxypyridine is sourced from PubChem (CID 150828183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).