2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-fluoropyridine-4-carboxylate

C13H18FNO5 — CID 105076040

IUPAC2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-fluoropyridine-4-carboxylate
SMILESCOCCOCCOCCOC(=O)c1ccncc1F
InChIInChI=1S/C13H18FNO5/c1-17-4-5-18-6-7-19-8-9-20-13(16)11-2-3-15-10-12(11)14/h2-3,10H,4-9H2,1H3
InChIKeyAGMHAFOOSBWCKA-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.06
Rot. Bonds10

About 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-fluoropyridine-4-carboxylate

2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-fluoropyridine-4-carboxylate (PubChem CID 105076040) has the molecular formula C13H18FNO5 and a molecular weight of 287.29 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-fluoropyridine-4-carboxylate.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-fluoropyridine-4-carboxylate
PubChem CID105076040
Molecular FormulaC13H18FNO5
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-fluoropyridine-4-carboxylate
SMILESCOCCOCCOCCOC(=O)c1ccncc1F
InChIInChI=1S/C13H18FNO5/c1-17-4-5-18-6-7-19-8-9-20-13(16)11-2-3-15-10-12(11)14/h2-3,10H,4-9H2,1H3
InChIKeyAGMHAFOOSBWCKA-UHFFFAOYSA-N
XLogP1.06
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxyethyl 4-chloropyridine-3-carboxylate
CID 115885964
1-(3-fluoro-4-pyridinyl)-4-methoxybutan-1-one
CID 104737858
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CID 112689579
2-(2-methoxyethoxy)ethyl 2-fluoro-5-sulfanylbenzoate
CID 107019067
2-methoxyethyl 2,4-difluorobenzoate
CID 78830751
2-(2-methoxyethoxy)ethyl 2-chloro-5-fluoropyridine-3-carboxylate
CID 103885347
2-methoxyethyl 2-fluoro-4-methylbenzoate
CID 79872980
3-(2-methoxyethoxymethyl)pyridine-4-carboxamide
CID 142949470
methyl 2-(3-fluoro-4-pyridinyl)-2-oxoacetate
CID 146160461
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,5-dichlorobenzoate
CID 101066319
3-fluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 113240831
1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate
CID 153260877

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-fluoropyridine-4-carboxylate?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-fluoropyridine-4-carboxylate (CID 105076040) is 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-fluoropyridine-4-carboxylate.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-fluoropyridine-4-carboxylate?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-fluoropyridine-4-carboxylate is COCCOCCOCCOC(=O)c1ccncc1F.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-fluoropyridine-4-carboxylate?
The InChIKey is AGMHAFOOSBWCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO5/c1-17-4-5-18-6-7-19-8-9-20-13(16)11-2-3-15-10-12(11)14/h2-3,10H,4-9H2,1H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-fluoropyridine-4-carboxylate?
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-fluoropyridine-4-carboxylate has a molecular weight of 287.29 g/mol, XLogP of 1.06, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-fluoropyridine-4-carboxylate is sourced from PubChem (CID 105076040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).