methyl 5-(fluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate

C10H9F4NO4 — CID 134669852

IUPACmethyl 5-(fluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(OC)c(CF)c(OC(F)(F)F)n1
InChIInChI=1S/C10H9F4NO4/c1-17-7-3-6(9(16)18-2)15-8(5(7)4-11)19-10(12,13)14/h3H,4H2,1-2H3
InChIKeyKQMCPYRRSAPYHQ-UHFFFAOYSA-N
MW283.18 g/mol
LogP2.24
Rot. Bonds4

About methyl 5-(fluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate

methyl 5-(fluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate (PubChem CID 134669852) has the molecular formula C10H9F4NO4 and a molecular weight of 283.18 g/mol. Its IUPAC name is methyl 5-(fluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(fluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate
PubChem CID134669852
Molecular FormulaC10H9F4NO4
Molecular Weight283.18 g/mol
Exact Mass283.05
IUPAC Namemethyl 5-(fluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(OC)c(CF)c(OC(F)(F)F)n1
InChIInChI=1S/C10H9F4NO4/c1-17-7-3-6(9(16)18-2)15-8(5(7)4-11)19-10(12,13)14/h3H,4H2,1-2H3
InChIKeyKQMCPYRRSAPYHQ-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(aminomethyl)-5-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134668130
methyl 5-(aminomethyl)-4-iodo-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134668714
5-(fluoromethyl)-6-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134681650
methyl 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134679723
methyl 2-(fluoromethyl)-5-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134677011
methyl 4-(chloromethyl)-5-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134660430
methyl 5-amino-4-cyano-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 133097018
methyl 3-fluoro-5-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134677279
ethyl 2-[4-methoxy-6-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134681865
methyl 5-methoxy-2-methyl-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134670013
ethyl 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134663138
methyl 4-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134677024

Frequently Asked Questions

What is the IUPAC name of methyl 5-(fluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate?
The IUPAC name of methyl 5-(fluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate (CID 134669852) is methyl 5-(fluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(fluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-(fluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate is COC(=O)c1cc(OC)c(CF)c(OC(F)(F)F)n1.
What is the InChIKey of methyl 5-(fluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate?
The InChIKey is KQMCPYRRSAPYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO4/c1-17-7-3-6(9(16)18-2)15-8(5(7)4-11)19-10(12,13)14/h3H,4H2,1-2H3.
What are the key properties of methyl 5-(fluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate?
methyl 5-(fluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate has a molecular weight of 283.18 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(fluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate is sourced from PubChem (CID 134669852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).