methyl 2-(fluoromethyl)-5-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate

C10H9F4NO4 — CID 134677011

IUPACmethyl 2-(fluoromethyl)-5-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(OC)c(OC(F)(F)F)nc1CF
InChIInChI=1S/C10H9F4NO4/c1-17-7-3-5(9(16)18-2)6(4-11)15-8(7)19-10(12,13)14/h3H,4H2,1-2H3
InChIKeyHFBLHKDIVIMSGI-UHFFFAOYSA-N
MW283.18 g/mol
LogP2.24
Rot. Bonds4

About methyl 2-(fluoromethyl)-5-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate

methyl 2-(fluoromethyl)-5-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate (PubChem CID 134677011) has the molecular formula C10H9F4NO4 and a molecular weight of 283.18 g/mol. Its IUPAC name is methyl 2-(fluoromethyl)-5-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(fluoromethyl)-5-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate
PubChem CID134677011
Molecular FormulaC10H9F4NO4
Molecular Weight283.18 g/mol
Exact Mass283.05
IUPAC Namemethyl 2-(fluoromethyl)-5-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(OC)c(OC(F)(F)F)nc1CF
InChIInChI=1S/C10H9F4NO4/c1-17-7-3-5(9(16)18-2)6(4-11)15-8(7)19-10(12,13)14/h3H,4H2,1-2H3
InChIKeyHFBLHKDIVIMSGI-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 5-methoxy-2-methyl-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134670013
methyl 6-(fluoromethyl)-2-iodo-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134661648
methyl 2-[5-methoxy-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134679933
methyl 5-(fluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134669852
2-[5-methoxy-6-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134679126
methyl 3-fluoro-5-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134677279
methyl 5-iodo-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134660175
methyl 5-iodo-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134659054
3-hydroxy-5-methoxy-6-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134677733
methyl 5-(chloromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134681784
ethyl 2-(aminomethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134668134
methyl 6-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134668977

Frequently Asked Questions

What is the IUPAC name of methyl 2-(fluoromethyl)-5-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(fluoromethyl)-5-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate (CID 134677011) is methyl 2-(fluoromethyl)-5-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(fluoromethyl)-5-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(fluoromethyl)-5-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate is COC(=O)c1cc(OC)c(OC(F)(F)F)nc1CF.
What is the InChIKey of methyl 2-(fluoromethyl)-5-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate?
The InChIKey is HFBLHKDIVIMSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO4/c1-17-7-3-5(9(16)18-2)6(4-11)15-8(7)19-10(12,13)14/h3H,4H2,1-2H3.
What are the key properties of methyl 2-(fluoromethyl)-5-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate?
methyl 2-(fluoromethyl)-5-methoxy-6-(trifluoromethoxy)pyridine-3-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 2-(fluoromethyl)-5-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate is sourced from PubChem (CID 134677011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).