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

C9H8F3NO3 — CID 133105622

IUPACmethyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate
SMILESCOC(=O)c1c(F)cnc(C(F)F)c1OC
InChIInChI=1S/C9H8F3NO3/c1-15-7-5(9(14)16-2)4(10)3-13-6(7)8(11)12/h3,8H,1-2H3
InChIKeyRKWRVJHLNJOCQG-UHFFFAOYSA-N
MW235.16 g/mol
LogP1.95
Rot. Bonds3

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

methyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate (PubChem CID 133105622) has the molecular formula C9H8F3NO3 and a molecular weight of 235.16 g/mol. Its IUPAC name is methyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate
PubChem CID133105622
Molecular FormulaC9H8F3NO3
Molecular Weight235.16 g/mol
Exact Mass235.05
IUPAC Namemethyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate
SMILESCOC(=O)c1c(F)cnc(C(F)F)c1OC
InChIInChI=1S/C9H8F3NO3/c1-15-7-5(9(14)16-2)4(10)3-13-6(7)8(11)12/h3,8H,1-2H3
InChIKeyRKWRVJHLNJOCQG-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

ethyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate
CID 133105363
methyl 2-(difluoromethyl)-5-fluoro-3-methylpyridine-4-carboxylate
CID 133105275
methyl 2-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)pyridine-4-carboxylate
CID 133098888
methyl 2-(difluoromethyl)-4-methoxy-5-nitropyridine-3-carboxylate
CID 133099332
methyl 3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylate
CID 133105353
methyl 4-(difluoromethyl)-5-fluoro-2-methoxypyridine-3-carboxylate
CID 133105528
methyl 2-(difluoromethyl)-4-fluoro-5-iodopyridine-3-carboxylate
CID 130080286
2-(difluoromethyl)-3,5-dimethoxypyridine-4-carboxamide
CID 118837482
methyl 3-chloro-2-(difluoromethyl)-5-methoxypyridine-4-carboxylate
CID 134674417
methyl 2-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-4-carboxylate
CID 134660809
2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-sulfonamide
CID 118820670
methyl 2-(aminomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carboxylate
CID 133104155

Frequently Asked Questions

What is the IUPAC name of methyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate?
The IUPAC name of methyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate (CID 133105622) is methyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate?
The canonical SMILES for methyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate is COC(=O)c1c(F)cnc(C(F)F)c1OC.
What is the InChIKey of methyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate?
The InChIKey is RKWRVJHLNJOCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3/c1-15-7-5(9(14)16-2)4(10)3-13-6(7)8(11)12/h3,8H,1-2H3.
What are the key properties of methyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate?
methyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-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 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate is sourced from PubChem (CID 133105622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).