methyl 5-fluoro-2-methoxy-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate

C10H9F4NO4 — CID 67508524

IUPACmethyl 5-fluoro-2-methoxy-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(F)c(OCC(F)(F)F)nc1OC
InChIInChI=1S/C10H9F4NO4/c1-17-7-5(9(16)18-2)3-6(11)8(15-7)19-4-10(12,13)14/h3H,4H2,1-2H3
InChIKeyOIDWRQDBAXGABR-UHFFFAOYSA-N
MW283.18 g/mol
LogP1.96
Rot. Bonds4

About methyl 5-fluoro-2-methoxy-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate

methyl 5-fluoro-2-methoxy-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate (PubChem CID 67508524) has the molecular formula C10H9F4NO4 and a molecular weight of 283.18 g/mol. Its IUPAC name is methyl 5-fluoro-2-methoxy-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-fluoro-2-methoxy-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
PubChem CID67508524
Molecular FormulaC10H9F4NO4
Molecular Weight283.18 g/mol
Exact Mass283.05
IUPAC Namemethyl 5-fluoro-2-methoxy-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(F)c(OCC(F)(F)F)nc1OC
InChIInChI=1S/C10H9F4NO4/c1-17-7-5(9(16)18-2)3-6(11)8(15-7)19-4-10(12,13)14/h3H,4H2,1-2H3
InChIKeyOIDWRQDBAXGABR-UHFFFAOYSA-N
XLogP1.96
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.18
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-iodo-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134659054
methyl 5-iodo-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134660175
methyl 4-methyl-2-(2,2,2-trifluoroethoxy)pyrimidine-5-carboxylate
CID 22832003
methyl 5-(chloromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134681784
methyl 5-formyl-2,6-dimethoxypyridine-3-carboxylate
CID 86118216
6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 154642177
ethyl 2-methoxy-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carboxylate
CID 134668367
2-[[5-fluoro-2-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl-(2-methylpropanoyl)amino]pyridine-4-carboxamide
CID 175016131
methyl 5-bromo-2-methoxy-6-methylpyridine-3-carboxylate
CID 59411423
methyl 5-acetyl-2-(2,2,2-trifluoroethoxy)benzoate
CID 155887496
methyl 3-(difluoromethyl)-6-fluoro-2-methoxypyridine-4-carboxylate
CID 133105531
methyl 2-bromo-4-(2,2,2-trifluoroethoxy)-1,3-benzothiazole-6-carboxylate
CID 134284664

Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-2-methoxy-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate?
The IUPAC name of methyl 5-fluoro-2-methoxy-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate (CID 67508524) is methyl 5-fluoro-2-methoxy-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-fluoro-2-methoxy-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate?
The canonical SMILES for methyl 5-fluoro-2-methoxy-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate is COC(=O)c1cc(F)c(OCC(F)(F)F)nc1OC.
What is the InChIKey of methyl 5-fluoro-2-methoxy-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate?
The InChIKey is OIDWRQDBAXGABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO4/c1-17-7-5(9(16)18-2)3-6(11)8(15-7)19-4-10(12,13)14/h3H,4H2,1-2H3.
What are the key properties of methyl 5-fluoro-2-methoxy-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate?
methyl 5-fluoro-2-methoxy-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate has a molecular weight of 283.18 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-2-methoxy-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate is sourced from PubChem (CID 67508524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).