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

C10H11F2NO2 — CID 134683429

IUPACethyl 2-(difluoromethyl)-3-methylpyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(C(F)F)c1C
InChIInChI=1S/C10H11F2NO2/c1-3-15-10(14)7-4-5-13-8(6(7)2)9(11)12/h4-5,9H,3H2,1-2H3
InChIKeySYHGCYSVGFNZGX-UHFFFAOYSA-N
MW215.20 g/mol
LogP2.50
Rot. Bonds3

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

ethyl 2-(difluoromethyl)-3-methylpyridine-4-carboxylate (PubChem CID 134683429) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is ethyl 2-(difluoromethyl)-3-methylpyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(difluoromethyl)-3-methylpyridine-4-carboxylate
PubChem CID134683429
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Nameethyl 2-(difluoromethyl)-3-methylpyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(C(F)F)c1C
InChIInChI=1S/C10H11F2NO2/c1-3-15-10(14)7-4-5-13-8(6(7)2)9(11)12/h4-5,9H,3H2,1-2H3
InChIKeySYHGCYSVGFNZGX-UHFFFAOYSA-N
XLogP2.50
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-cyano-2-(difluoromethyl)pyridine-4-carboxylate
CID 133097606
ethyl 2-[2-(difluoromethyl)-4-methyl-3-pyridinyl]acetate
CID 134673374
ethyl 2-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetate
CID 133091163
ethyl 3-amino-2-(2,2-difluoroethoxy)pyridine-4-carboxylate
CID 82006675
methyl 3-amino-2-(difluoromethyl)pyridine-4-carboxylate
CID 130094864
ethyl 2-[2-(difluoromethyl)-3-pyridinyl]acetate
CID 134663371
ethyl 4-chloro-6-(difluoromethyl)pyridine-3-carboxylate
CID 133088345
ethyl 5-(aminomethyl)-2-(difluoromethyl)-3-methylpyridine-4-carboxylate
CID 133084245
ethyl 2-(aminomethyl)-4-(difluoromethyl)pyrimidine-5-carboxylate
CID 138991320
ethyl 4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 134674253
ethyl 6-(difluoromethyl)-4-methoxypyridine-3-carboxylate
CID 134682660
diethyl 2-chloropyridine-3,4-dicarboxylate
CID 86639619

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(difluoromethyl)-3-methylpyridine-4-carboxylate?
The IUPAC name of ethyl 2-(difluoromethyl)-3-methylpyridine-4-carboxylate (CID 134683429) is ethyl 2-(difluoromethyl)-3-methylpyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-(difluoromethyl)-3-methylpyridine-4-carboxylate?
The canonical SMILES for ethyl 2-(difluoromethyl)-3-methylpyridine-4-carboxylate is CCOC(=O)c1ccnc(C(F)F)c1C.
What is the InChIKey of ethyl 2-(difluoromethyl)-3-methylpyridine-4-carboxylate?
The InChIKey is SYHGCYSVGFNZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-3-15-10(14)7-4-5-13-8(6(7)2)9(11)12/h4-5,9H,3H2,1-2H3.
What are the key properties of ethyl 2-(difluoromethyl)-3-methylpyridine-4-carboxylate?
ethyl 2-(difluoromethyl)-3-methylpyridine-4-carboxylate has a molecular weight of 215.20 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(difluoromethyl)-3-methylpyridine-4-carboxylate is sourced from PubChem (CID 134683429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).