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

C9H8F3NO2 — CID 133105275

IUPACmethyl 2-(difluoromethyl)-5-fluoro-3-methylpyridine-4-carboxylate
SMILESCOC(=O)c1c(F)cnc(C(F)F)c1C
InChIInChI=1S/C9H8F3NO2/c1-4-6(9(14)15-2)5(10)3-13-7(4)8(11)12/h3,8H,1-2H3
InChIKeyYSRJOWROTIRUOQ-UHFFFAOYSA-N
MW219.16 g/mol
LogP2.25
Rot. Bonds2

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

methyl 2-(difluoromethyl)-5-fluoro-3-methylpyridine-4-carboxylate (PubChem CID 133105275) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is methyl 2-(difluoromethyl)-5-fluoro-3-methylpyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(difluoromethyl)-5-fluoro-3-methylpyridine-4-carboxylate
PubChem CID133105275
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC Namemethyl 2-(difluoromethyl)-5-fluoro-3-methylpyridine-4-carboxylate
SMILESCOC(=O)c1c(F)cnc(C(F)F)c1C
InChIInChI=1S/C9H8F3NO2/c1-4-6(9(14)15-2)5(10)3-13-7(4)8(11)12/h3,8H,1-2H3
InChIKeyYSRJOWROTIRUOQ-UHFFFAOYSA-N
XLogP2.25
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate
CID 133105622
methyl 5-fluoro-3-methyl-2-(trifluoromethyl)pyridine-4-carboxylate
CID 169249087
methyl 2-(difluoromethyl)-4-fluoro-5-iodopyridine-3-carboxylate
CID 130080286
methyl 6-(difluoromethyl)-4-iodo-5-methylpyridine-3-carboxylate
CID 130086264
ethyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate
CID 133105363
methyl 4-(difluoromethyl)-5-fluoro-2-methoxypyridine-3-carboxylate
CID 133105528
methyl 2-(aminomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carboxylate
CID 133104155
methyl 3-(difluoromethyl)-6-methylpyrazine-2-carboxylate
CID 176833508
methyl 2-(difluoromethyl)-4,6-difluoropyridine-3-carboxylate
CID 134664214
methyl 2-(difluoromethyl)-3-fluoro-5-nitropyridine-4-carboxylate
CID 133105039
methyl 5-bromo-2-(difluoromethyl)-3-iodopyridine-4-carboxylate
CID 134684442
methyl 3-chloro-2-(difluoromethyl)-5-methoxypyridine-4-carboxylate
CID 134674417

Frequently Asked Questions

What is the IUPAC name of methyl 2-(difluoromethyl)-5-fluoro-3-methylpyridine-4-carboxylate?
The IUPAC name of methyl 2-(difluoromethyl)-5-fluoro-3-methylpyridine-4-carboxylate (CID 133105275) is methyl 2-(difluoromethyl)-5-fluoro-3-methylpyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(difluoromethyl)-5-fluoro-3-methylpyridine-4-carboxylate?
The canonical SMILES for methyl 2-(difluoromethyl)-5-fluoro-3-methylpyridine-4-carboxylate is COC(=O)c1c(F)cnc(C(F)F)c1C.
What is the InChIKey of methyl 2-(difluoromethyl)-5-fluoro-3-methylpyridine-4-carboxylate?
The InChIKey is YSRJOWROTIRUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2/c1-4-6(9(14)15-2)5(10)3-13-7(4)8(11)12/h3,8H,1-2H3.
What are the key properties of methyl 2-(difluoromethyl)-5-fluoro-3-methylpyridine-4-carboxylate?
methyl 2-(difluoromethyl)-5-fluoro-3-methylpyridine-4-carboxylate has a molecular weight of 219.16 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(difluoromethyl)-5-fluoro-3-methylpyridine-4-carboxylate is sourced from PubChem (CID 133105275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).