methyl 3-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-4-carboxylate

C10H8F5NO4 — CID 134679196

IUPACmethyl 3-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(OC)nc(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C10H8F5NO4/c1-18-5-3-4(9(17)19-2)6(7(11)12)8(16-5)20-10(13,14)15/h3,7H,1-2H3
InChIKeyGGMPWXJRYOSTSP-UHFFFAOYSA-N
MW301.17 g/mol
LogP2.71
Rot. Bonds4

About methyl 3-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-4-carboxylate

methyl 3-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-4-carboxylate (PubChem CID 134679196) has the molecular formula C10H8F5NO4 and a molecular weight of 301.17 g/mol. Its IUPAC name is methyl 3-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-4-carboxylate
PubChem CID134679196
Molecular FormulaC10H8F5NO4
Molecular Weight301.17 g/mol
Exact Mass301.04
IUPAC Namemethyl 3-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(OC)nc(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C10H8F5NO4/c1-18-5-3-4(9(17)19-2)6(7(11)12)8(16-5)20-10(13,14)15/h3,7H,1-2H3
InChIKeyGGMPWXJRYOSTSP-UHFFFAOYSA-N
XLogP2.71
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)pyridine-4-carboxylate
CID 134676098
methyl 6-bromo-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 171028986
methyl 3-(difluoromethyl)-6-fluoro-2-methoxypyridine-4-carboxylate
CID 133105531
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-(difluoromethyl)-5-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134659266
methyl 4-(chloromethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134665177
methyl 2-(difluoromethyl)-3-hydroxy-6-methoxypyridine-4-carboxylate
CID 133103210
methyl 2,3,6-trimethoxypyridine-4-carboxylate
CID 130406819
methyl 3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134677123
3-(difluoromethyl)-6-fluoro-2-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134681070
methyl 6-(difluoromethyl)-2-fluoro-3-(trifluoromethoxy)pyridine-4-carboxylate
CID 134676531

Frequently Asked Questions

What is the IUPAC name of methyl 3-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-4-carboxylate?
The IUPAC name of methyl 3-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-4-carboxylate (CID 134679196) is methyl 3-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-4-carboxylate?
The canonical SMILES for methyl 3-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-4-carboxylate is COC(=O)c1cc(OC)nc(OC(F)(F)F)c1C(F)F.
What is the InChIKey of methyl 3-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-4-carboxylate?
The InChIKey is GGMPWXJRYOSTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5NO4/c1-18-5-3-4(9(17)19-2)6(7(11)12)8(16-5)20-10(13,14)15/h3,7H,1-2H3.
What are the key properties of methyl 3-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-4-carboxylate?
methyl 3-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-4-carboxylate has a molecular weight of 301.17 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-4-carboxylate is sourced from PubChem (CID 134679196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).