ethyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate

C10H10F3NO3 — CID 133105363

IUPACethyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate
SMILESCCOC(=O)c1c(F)cnc(C(F)F)c1OC
InChIInChI=1S/C10H10F3NO3/c1-3-17-10(15)6-5(11)4-14-7(9(12)13)8(6)16-2/h4,9H,3H2,1-2H3
InChIKeyWQXQILTXPHZASN-UHFFFAOYSA-N
MW249.19 g/mol
LogP2.34
Rot. Bonds4

About ethyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate

ethyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate (PubChem CID 133105363) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is ethyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate
PubChem CID133105363
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Nameethyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate
SMILESCCOC(=O)c1c(F)cnc(C(F)F)c1OC
InChIInChI=1S/C10H10F3NO3/c1-3-17-10(15)6-5(11)4-14-7(9(12)13)8(6)16-2/h4,9H,3H2,1-2H3
InChIKeyWQXQILTXPHZASN-UHFFFAOYSA-N
XLogP2.34
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate
CID 133105622
ethyl 2-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate
CID 133100499
ethyl 4-chloro-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 134672013
ethyl 4-(aminomethyl)-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 133104245
ethyl 3-(difluoromethyl)-5-fluoro-2-methylpyridine-4-carboxylate
CID 133105223
ethyl 6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-carboxylate
CID 133103473
ethyl 2-(difluoromethyl)-4-iodo-5-methoxypyridine-3-carboxylate
CID 133101504
ethyl 4-chloro-2-(difluoromethyl)-5-methoxypyridine-3-carboxylate
CID 134684705
ethyl 2-(difluoromethyl)-3,5-dihydroxypyridine-4-carboxylate
CID 133093322
ethyl 4-(difluoromethyl)-2,5-difluoropyridine-3-carboxylate
CID 134661746
ethyl 2-bromo-5-(difluoromethyl)-3-methoxypyridine-4-carboxylate
CID 134685048
methyl 2-(difluoromethyl)-5-fluoro-3-methylpyridine-4-carboxylate
CID 133105275

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate?
The IUPAC name of ethyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate (CID 133105363) is ethyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate?
The canonical SMILES for ethyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate is CCOC(=O)c1c(F)cnc(C(F)F)c1OC.
What is the InChIKey of ethyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate?
The InChIKey is WQXQILTXPHZASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c1-3-17-10(15)6-5(11)4-14-7(9(12)13)8(6)16-2/h4,9H,3H2,1-2H3.
What are the key properties of ethyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate?
ethyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate has a molecular weight of 249.19 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate is sourced from PubChem (CID 133105363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).