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

C10H10F3NO2 — CID 133105223

IUPACethyl 3-(difluoromethyl)-5-fluoro-2-methylpyridine-4-carboxylate
SMILESCCOC(=O)c1c(F)cnc(C)c1C(F)F
InChIInChI=1S/C10H10F3NO2/c1-3-16-10(15)8-6(11)4-14-5(2)7(8)9(12)13/h4,9H,3H2,1-2H3
InChIKeyXHLKBJCIHPAAEB-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.64
Rot. Bonds3

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

ethyl 3-(difluoromethyl)-5-fluoro-2-methylpyridine-4-carboxylate (PubChem CID 133105223) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is ethyl 3-(difluoromethyl)-5-fluoro-2-methylpyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(difluoromethyl)-5-fluoro-2-methylpyridine-4-carboxylate
PubChem CID133105223
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Nameethyl 3-(difluoromethyl)-5-fluoro-2-methylpyridine-4-carboxylate
SMILESCCOC(=O)c1c(F)cnc(C)c1C(F)F
InChIInChI=1S/C10H10F3NO2/c1-3-16-10(15)8-6(11)4-14-5(2)7(8)9(12)13/h4,9H,3H2,1-2H3
InChIKeyXHLKBJCIHPAAEB-UHFFFAOYSA-N
XLogP2.64
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-bromo-3-(difluoromethyl)-2-methylpyridine-4-carboxylate
CID 134685203
ethyl 4-(difluoromethyl)-2,5-difluoropyridine-3-carboxylate
CID 134661746
ethyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate
CID 133105363
ethyl 4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 134669516
ethyl 4-chloro-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 134672013
ethyl 4-(aminomethyl)-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 133104245
ethyl 5-(bromomethyl)-4-(difluoromethyl)-2-fluoropyridine-3-carboxylate
CID 133103882
ethyl 2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carboxylate
CID 133098516
ethyl 2-amino-5-bromo-3-(difluoromethyl)pyridine-4-carboxylate
CID 134683617
methyl 2-(aminomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carboxylate
CID 133104155
4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-carboxylic acid
CID 118812572
ethyl 5-amino-4-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 134675966

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(difluoromethyl)-5-fluoro-2-methylpyridine-4-carboxylate?
The IUPAC name of ethyl 3-(difluoromethyl)-5-fluoro-2-methylpyridine-4-carboxylate (CID 133105223) is ethyl 3-(difluoromethyl)-5-fluoro-2-methylpyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-(difluoromethyl)-5-fluoro-2-methylpyridine-4-carboxylate?
The canonical SMILES for ethyl 3-(difluoromethyl)-5-fluoro-2-methylpyridine-4-carboxylate is CCOC(=O)c1c(F)cnc(C)c1C(F)F.
What is the InChIKey of ethyl 3-(difluoromethyl)-5-fluoro-2-methylpyridine-4-carboxylate?
The InChIKey is XHLKBJCIHPAAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-3-16-10(15)8-6(11)4-14-5(2)7(8)9(12)13/h4,9H,3H2,1-2H3.
What are the key properties of ethyl 3-(difluoromethyl)-5-fluoro-2-methylpyridine-4-carboxylate?
ethyl 3-(difluoromethyl)-5-fluoro-2-methylpyridine-4-carboxylate has a molecular weight of 233.19 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(difluoromethyl)-5-fluoro-2-methylpyridine-4-carboxylate is sourced from PubChem (CID 133105223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).