4-ethoxy-2-fluoro-3-methoxy-5,6-dimethylpyridine

C10H14FNO2 — CID 69022167

IUPAC4-ethoxy-2-fluoro-3-methoxy-5,6-dimethylpyridine
SMILESCCOc1c(C)c(C)nc(F)c1OC
InChIInChI=1S/C10H14FNO2/c1-5-14-8-6(2)7(3)12-10(11)9(8)13-4/h5H2,1-4H3
InChIKeyHEVACLGFFAPEPE-UHFFFAOYSA-N
MW199.22 g/mol
LogP2.24
Rot. Bonds3

About 4-ethoxy-2-fluoro-3-methoxy-5,6-dimethylpyridine

4-ethoxy-2-fluoro-3-methoxy-5,6-dimethylpyridine (PubChem CID 69022167) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is 4-ethoxy-2-fluoro-3-methoxy-5,6-dimethylpyridine.

Molecular Properties

Compound Name4-ethoxy-2-fluoro-3-methoxy-5,6-dimethylpyridine
PubChem CID69022167
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name4-ethoxy-2-fluoro-3-methoxy-5,6-dimethylpyridine
SMILESCCOc1c(C)c(C)nc(F)c1OC
InChIInChI=1S/C10H14FNO2/c1-5-14-8-6(2)7(3)12-10(11)9(8)13-4/h5H2,1-4H3
InChIKeyHEVACLGFFAPEPE-UHFFFAOYSA-N
XLogP2.24
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-fluoro-3-methoxy-5,6-dimethylpyridine?
The IUPAC name of 4-ethoxy-2-fluoro-3-methoxy-5,6-dimethylpyridine (CID 69022167) is 4-ethoxy-2-fluoro-3-methoxy-5,6-dimethylpyridine.
What is the SMILES notation for 4-ethoxy-2-fluoro-3-methoxy-5,6-dimethylpyridine?
The canonical SMILES for 4-ethoxy-2-fluoro-3-methoxy-5,6-dimethylpyridine is CCOc1c(C)c(C)nc(F)c1OC.
What is the InChIKey of 4-ethoxy-2-fluoro-3-methoxy-5,6-dimethylpyridine?
The InChIKey is HEVACLGFFAPEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-5-14-8-6(2)7(3)12-10(11)9(8)13-4/h5H2,1-4H3.
What are the key properties of 4-ethoxy-2-fluoro-3-methoxy-5,6-dimethylpyridine?
4-ethoxy-2-fluoro-3-methoxy-5,6-dimethylpyridine has a molecular weight of 199.22 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-fluoro-3-methoxy-5,6-dimethylpyridine is sourced from PubChem (CID 69022167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).