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

C9H8F3NO3 — CID 133105528

IUPACmethyl 4-(difluoromethyl)-5-fluoro-2-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1c(OC)ncc(F)c1C(F)F
InChIInChI=1S/C9H8F3NO3/c1-15-8-6(9(14)16-2)5(7(11)12)4(10)3-13-8/h3,7H,1-2H3
InChIKeyJAWCCZQMCWIJBZ-UHFFFAOYSA-N
MW235.16 g/mol
LogP1.95
Rot. Bonds3

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

methyl 4-(difluoromethyl)-5-fluoro-2-methoxypyridine-3-carboxylate (PubChem CID 133105528) has the molecular formula C9H8F3NO3 and a molecular weight of 235.16 g/mol. Its IUPAC name is methyl 4-(difluoromethyl)-5-fluoro-2-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(difluoromethyl)-5-fluoro-2-methoxypyridine-3-carboxylate
PubChem CID133105528
Molecular FormulaC9H8F3NO3
Molecular Weight235.16 g/mol
Exact Mass235.05
IUPAC Namemethyl 4-(difluoromethyl)-5-fluoro-2-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1c(OC)ncc(F)c1C(F)F
InChIInChI=1S/C9H8F3NO3/c1-15-8-6(9(14)16-2)5(7(11)12)4(10)3-13-8/h3,7H,1-2H3
InChIKeyJAWCCZQMCWIJBZ-UHFFFAOYSA-N
XLogP1.95
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(difluoromethyl)-2,5-dimethoxypyridine-3-carboxylate
CID 134684678
methyl 5-(difluoromethyl)-3-hydroxy-2-methoxypyridine-4-carboxylate
CID 133103370
methyl 5-chloro-3-(difluoromethyl)-2-fluoropyridine-4-carboxylate
CID 134685177
methyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate
CID 133105622
methyl 3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylate
CID 133105353
methyl 2-(aminomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carboxylate
CID 133104155
3-chloro-4-(difluoromethyl)-5-fluoro-2-methoxypyridine
CID 130071589
methyl 2-(difluoromethyl)-5-fluoro-3-methylpyridine-4-carboxylate
CID 133105275
methyl 3-(aminomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carboxylate
CID 133104277
methyl 3-(chloromethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carboxylate
CID 130082369
3-(bromomethyl)-4-(difluoromethyl)-5-fluoro-2-methoxypyridine
CID 130080624
ethyl 4-(difluoromethyl)-2,5-difluoropyridine-3-carboxylate
CID 134661746

Frequently Asked Questions

What is the IUPAC name of methyl 4-(difluoromethyl)-5-fluoro-2-methoxypyridine-3-carboxylate?
The IUPAC name of methyl 4-(difluoromethyl)-5-fluoro-2-methoxypyridine-3-carboxylate (CID 133105528) is methyl 4-(difluoromethyl)-5-fluoro-2-methoxypyridine-3-carboxylate.
What is the SMILES notation for methyl 4-(difluoromethyl)-5-fluoro-2-methoxypyridine-3-carboxylate?
The canonical SMILES for methyl 4-(difluoromethyl)-5-fluoro-2-methoxypyridine-3-carboxylate is COC(=O)c1c(OC)ncc(F)c1C(F)F.
What is the InChIKey of methyl 4-(difluoromethyl)-5-fluoro-2-methoxypyridine-3-carboxylate?
The InChIKey is JAWCCZQMCWIJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3/c1-15-8-6(9(14)16-2)5(7(11)12)4(10)3-13-8/h3,7H,1-2H3.
What are the key properties of methyl 4-(difluoromethyl)-5-fluoro-2-methoxypyridine-3-carboxylate?
methyl 4-(difluoromethyl)-5-fluoro-2-methoxypyridine-3-carboxylate has a molecular weight of 235.16 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(difluoromethyl)-5-fluoro-2-methoxypyridine-3-carboxylate is sourced from PubChem (CID 133105528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).