methyl 3-(fluoromethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylate

C10H9F4NO4 — CID 134665380

IUPACmethyl 3-(fluoromethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(OC)c(OC(F)(F)F)c1CF
InChIInChI=1S/C10H9F4NO4/c1-17-6-4-15-7(9(16)18-2)5(3-11)8(6)19-10(12,13)14/h4H,3H2,1-2H3
InChIKeyCXUUPQPCMSYKOZ-UHFFFAOYSA-N
MW283.18 g/mol
LogP2.24
Rot. Bonds4

About methyl 3-(fluoromethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylate

methyl 3-(fluoromethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylate (PubChem CID 134665380) has the molecular formula C10H9F4NO4 and a molecular weight of 283.18 g/mol. Its IUPAC name is methyl 3-(fluoromethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(fluoromethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylate
PubChem CID134665380
Molecular FormulaC10H9F4NO4
Molecular Weight283.18 g/mol
Exact Mass283.05
IUPAC Namemethyl 3-(fluoromethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(OC)c(OC(F)(F)F)c1CF
InChIInChI=1S/C10H9F4NO4/c1-17-6-4-15-7(9(16)18-2)5(3-11)8(6)19-10(12,13)14/h4H,3H2,1-2H3
InChIKeyCXUUPQPCMSYKOZ-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-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134677024
methyl 5-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 133085948
3-(chloromethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134681720
ethyl 3-hydroxy-5-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134666742
methyl 5-(fluoromethyl)-3-iodo-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134669057
ethyl 4-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 133087391
methyl 5-(fluoromethyl)-6-iodo-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134680047
methyl 5-(aminomethyl)-4-methyl-3-(trifluoromethoxy)pyridine-2-carboxylate
CID 133085417
methyl 2-[3-(chloromethyl)-5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134679506
4-(fluoromethyl)-2-iodo-5-methoxy-3-(trifluoromethoxy)pyridine
CID 118801343
methyl 3-hydroxy-4-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134679830
[2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118820192

Frequently Asked Questions

What is the IUPAC name of methyl 3-(fluoromethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylate?
The IUPAC name of methyl 3-(fluoromethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylate (CID 134665380) is methyl 3-(fluoromethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-(fluoromethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylate?
The canonical SMILES for methyl 3-(fluoromethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylate is COC(=O)c1ncc(OC)c(OC(F)(F)F)c1CF.
What is the InChIKey of methyl 3-(fluoromethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylate?
The InChIKey is CXUUPQPCMSYKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO4/c1-17-6-4-15-7(9(16)18-2)5(3-11)8(6)19-10(12,13)14/h4H,3H2,1-2H3.
What are the key properties of methyl 3-(fluoromethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylate?
methyl 3-(fluoromethyl)-5-methoxy-4-(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 3-(fluoromethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylate is sourced from PubChem (CID 134665380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).