3-(diethoxymethyl)-2-fluoropyridine

C10H14FNO2 — CID 172684948

IUPAC3-(diethoxymethyl)-2-fluoropyridine
SMILESCCOC(OCC)c1cccnc1F
InChIInChI=1S/C10H14FNO2/c1-3-13-10(14-4-2)8-6-5-7-12-9(8)11/h5-7,10H,3-4H2,1-2H3
InChIKeyAXFPGEXLKOAUDM-UHFFFAOYSA-N
MW199.22 g/mol
LogP2.29
Rot. Bonds5

About 3-(diethoxymethyl)-2-fluoropyridine

3-(diethoxymethyl)-2-fluoropyridine (PubChem CID 172684948) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is 3-(diethoxymethyl)-2-fluoropyridine.

Molecular Properties

Compound Name3-(diethoxymethyl)-2-fluoropyridine
PubChem CID172684948
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name3-(diethoxymethyl)-2-fluoropyridine
SMILESCCOC(OCC)c1cccnc1F
InChIInChI=1S/C10H14FNO2/c1-3-13-10(14-4-2)8-6-5-7-12-9(8)11/h5-7,10H,3-4H2,1-2H3
InChIKeyAXFPGEXLKOAUDM-UHFFFAOYSA-N
XLogP2.29
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(diethoxymethyl)-2-fluoropyridine?
The IUPAC name of 3-(diethoxymethyl)-2-fluoropyridine (CID 172684948) is 3-(diethoxymethyl)-2-fluoropyridine.
What is the SMILES notation for 3-(diethoxymethyl)-2-fluoropyridine?
The canonical SMILES for 3-(diethoxymethyl)-2-fluoropyridine is CCOC(OCC)c1cccnc1F.
What is the InChIKey of 3-(diethoxymethyl)-2-fluoropyridine?
The InChIKey is AXFPGEXLKOAUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-3-13-10(14-4-2)8-6-5-7-12-9(8)11/h5-7,10H,3-4H2,1-2H3.
What are the key properties of 3-(diethoxymethyl)-2-fluoropyridine?
3-(diethoxymethyl)-2-fluoropyridine has a molecular weight of 199.22 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethoxymethyl)-2-fluoropyridine is sourced from PubChem (CID 172684948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).