ethyl 5-fluoro-2-(4-fluorophenyl)pyridine-4-carboxylate

C14H11F2NO2 — CID 156896155

IUPACethyl 5-fluoro-2-(4-fluorophenyl)pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(F)cc2)ncc1F
InChIInChI=1S/C14H11F2NO2/c1-2-19-14(18)11-7-13(17-8-12(11)16)9-3-5-10(15)6-4-9/h3-8H,2H2,1H3
InChIKeyQTHXOPZMCRGANZ-UHFFFAOYSA-N
MW263.24 g/mol
LogP3.20
Rot. Bonds3

About ethyl 5-fluoro-2-(4-fluorophenyl)pyridine-4-carboxylate

ethyl 5-fluoro-2-(4-fluorophenyl)pyridine-4-carboxylate (PubChem CID 156896155) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is ethyl 5-fluoro-2-(4-fluorophenyl)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-fluoro-2-(4-fluorophenyl)pyridine-4-carboxylate
PubChem CID156896155
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Nameethyl 5-fluoro-2-(4-fluorophenyl)pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(F)cc2)ncc1F
InChIInChI=1S/C14H11F2NO2/c1-2-19-14(18)11-7-13(17-8-12(11)16)9-3-5-10(15)6-4-9/h3-8H,2H2,1H3
InChIKeyQTHXOPZMCRGANZ-UHFFFAOYSA-N
XLogP3.20
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(4-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carboxylate
CID 132851457
ethyl 2-(4-fluorophenyl)benzoate
CID 43840259
ethyl 2-chloro-3-cyano-6-(4-fluorophenyl)pyridine-4-carboxylate
CID 121234334
ethyl 2-(4-fluorophenyl)benzo[h]quinoline-4-carboxylate
CID 135023475
ethyl 4-(4-fluorophenyl)-2-hydroxybenzoate
CID 125477835
ethyl 3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylate
CID 26597179
ethyl 4-fluoro-6-iodopyridine-3-carboxylate
CID 131189599
ethyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66490237
ethyl 2-(3,4-dichlorophenyl)-5-fluorobenzoate
CID 134623240
ethyl 3-(4-fluorophenyl)pyrrolo[1,2-a]pyrimidine-8-carboxylate
CID 131988344
ethyl 5-chloro-2-pyridin-3-ylpyridine-4-carboxylate
CID 46317829
ethyl 5-fluoropyridine-2-carboxylate
CID 10986675

Frequently Asked Questions

What is the IUPAC name of ethyl 5-fluoro-2-(4-fluorophenyl)pyridine-4-carboxylate?
The IUPAC name of ethyl 5-fluoro-2-(4-fluorophenyl)pyridine-4-carboxylate (CID 156896155) is ethyl 5-fluoro-2-(4-fluorophenyl)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 5-fluoro-2-(4-fluorophenyl)pyridine-4-carboxylate?
The canonical SMILES for ethyl 5-fluoro-2-(4-fluorophenyl)pyridine-4-carboxylate is CCOC(=O)c1cc(-c2ccc(F)cc2)ncc1F.
What is the InChIKey of ethyl 5-fluoro-2-(4-fluorophenyl)pyridine-4-carboxylate?
The InChIKey is QTHXOPZMCRGANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO2/c1-2-19-14(18)11-7-13(17-8-12(11)16)9-3-5-10(15)6-4-9/h3-8H,2H2,1H3.
What are the key properties of ethyl 5-fluoro-2-(4-fluorophenyl)pyridine-4-carboxylate?
ethyl 5-fluoro-2-(4-fluorophenyl)pyridine-4-carboxylate has a molecular weight of 263.24 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-fluoro-2-(4-fluorophenyl)pyridine-4-carboxylate is sourced from PubChem (CID 156896155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).