4-ethoxy-2-fluoro-3-methoxy-6-methylpyridine

C9H12FNO2 — CID 69020996

IUPAC4-ethoxy-2-fluoro-3-methoxy-6-methylpyridine
SMILESCCOc1cc(C)nc(F)c1OC
InChIInChI=1S/C9H12FNO2/c1-4-13-7-5-6(2)11-9(10)8(7)12-3/h5H,4H2,1-3H3
InChIKeyYDJLKUWCTKSECM-UHFFFAOYSA-N
MW185.20 g/mol
LogP1.94
Rot. Bonds3

About 4-ethoxy-2-fluoro-3-methoxy-6-methylpyridine

4-ethoxy-2-fluoro-3-methoxy-6-methylpyridine (PubChem CID 69020996) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 4-ethoxy-2-fluoro-3-methoxy-6-methylpyridine.

Molecular Properties

Compound Name4-ethoxy-2-fluoro-3-methoxy-6-methylpyridine
PubChem CID69020996
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name4-ethoxy-2-fluoro-3-methoxy-6-methylpyridine
SMILESCCOc1cc(C)nc(F)c1OC
InChIInChI=1S/C9H12FNO2/c1-4-13-7-5-6(2)11-9(10)8(7)12-3/h5H,4H2,1-3H3
InChIKeyYDJLKUWCTKSECM-UHFFFAOYSA-N
XLogP1.94
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 51.94
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-6-methylpyridine?
The IUPAC name of 4-ethoxy-2-fluoro-3-methoxy-6-methylpyridine (CID 69020996) is 4-ethoxy-2-fluoro-3-methoxy-6-methylpyridine.
What is the SMILES notation for 4-ethoxy-2-fluoro-3-methoxy-6-methylpyridine?
The canonical SMILES for 4-ethoxy-2-fluoro-3-methoxy-6-methylpyridine is CCOc1cc(C)nc(F)c1OC.
What is the InChIKey of 4-ethoxy-2-fluoro-3-methoxy-6-methylpyridine?
The InChIKey is YDJLKUWCTKSECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2/c1-4-13-7-5-6(2)11-9(10)8(7)12-3/h5H,4H2,1-3H3.
What are the key properties of 4-ethoxy-2-fluoro-3-methoxy-6-methylpyridine?
4-ethoxy-2-fluoro-3-methoxy-6-methylpyridine has a molecular weight of 185.20 g/mol, XLogP of 1.94, 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-6-methylpyridine is sourced from PubChem (CID 69020996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).