methyl 2,4-bis(trifluoromethyl)-6-trimethylsilyloxypyridine-3-carboxylate

C12H13F6NO3Si — CID 10406262

IUPACmethyl 2,4-bis(trifluoromethyl)-6-trimethylsilyloxypyridine-3-carboxylate
SMILESCOC(=O)c1c(C(F)(F)F)cc(O[Si](C)(C)C)nc1C(F)(F)F
InChIInChI=1S/C12H13F6NO3Si/c1-21-10(20)8-6(11(13,14)15)5-7(22-23(2,3)4)19-9(8)12(16,17)18/h5H,1-4H3
InChIKeyZUNMSUWQDVPIKY-UHFFFAOYSA-N
MW361.31 g/mol
LogP4.12
Rot. Bonds3

About methyl 2,4-bis(trifluoromethyl)-6-trimethylsilyloxypyridine-3-carboxylate

methyl 2,4-bis(trifluoromethyl)-6-trimethylsilyloxypyridine-3-carboxylate (PubChem CID 10406262) has the molecular formula C12H13F6NO3Si and a molecular weight of 361.31 g/mol. Its IUPAC name is methyl 2,4-bis(trifluoromethyl)-6-trimethylsilyloxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,4-bis(trifluoromethyl)-6-trimethylsilyloxypyridine-3-carboxylate
PubChem CID10406262
Molecular FormulaC12H13F6NO3Si
Molecular Weight361.31 g/mol
Exact Mass361.06
IUPAC Namemethyl 2,4-bis(trifluoromethyl)-6-trimethylsilyloxypyridine-3-carboxylate
SMILESCOC(=O)c1c(C(F)(F)F)cc(O[Si](C)(C)C)nc1C(F)(F)F
InChIInChI=1S/C12H13F6NO3Si/c1-21-10(20)8-6(11(13,14)15)5-7(22-23(2,3)4)19-9(8)12(16,17)18/h5H,1-4H3
InChIKeyZUNMSUWQDVPIKY-UHFFFAOYSA-N
XLogP4.12
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

methyl 4-methoxy-2,6-bis(trifluoromethyl)benzoate
CID 15370697
methyl 4-hydroxy-2,6-bis(trifluoromethyl)benzoate
CID 134639096
ethyl 2,4-bis(trifluoromethyl)-6-(trifluoromethylsulfonyloxy)pyridine-3-carboxylate
CID 10048578
methyl 6-chloro-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate
CID 133087799
ethyl 6-chloro-2,4-bis(trifluoromethyl)pyridine-3-carboxylate
CID 10336213
methyl 2,6-difluoro-3-methyl-4-(trifluoromethyl)benzoate
CID 154645474
methyl 6-(chloromethyl)-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate
CID 134673063
methyl 2-chloro-6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylate
CID 59487345
methyl 6-(bromomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-carboxylate
CID 134659274
methyl 3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134677123
methyl 6-methoxy-2-methyl-3-(trifluoromethyl)benzoate
CID 162581639
lithium methyl 2-methoxy-4,6-bis(trifluoromethyl)-3H-pyridin-3-ide-5-carboxylate
CID 10086622

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-bis(trifluoromethyl)-6-trimethylsilyloxypyridine-3-carboxylate?
The IUPAC name of methyl 2,4-bis(trifluoromethyl)-6-trimethylsilyloxypyridine-3-carboxylate (CID 10406262) is methyl 2,4-bis(trifluoromethyl)-6-trimethylsilyloxypyridine-3-carboxylate.
What is the SMILES notation for methyl 2,4-bis(trifluoromethyl)-6-trimethylsilyloxypyridine-3-carboxylate?
The canonical SMILES for methyl 2,4-bis(trifluoromethyl)-6-trimethylsilyloxypyridine-3-carboxylate is COC(=O)c1c(C(F)(F)F)cc(O[Si](C)(C)C)nc1C(F)(F)F.
What is the InChIKey of methyl 2,4-bis(trifluoromethyl)-6-trimethylsilyloxypyridine-3-carboxylate?
The InChIKey is ZUNMSUWQDVPIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F6NO3Si/c1-21-10(20)8-6(11(13,14)15)5-7(22-23(2,3)4)19-9(8)12(16,17)18/h5H,1-4H3.
What are the key properties of methyl 2,4-bis(trifluoromethyl)-6-trimethylsilyloxypyridine-3-carboxylate?
methyl 2,4-bis(trifluoromethyl)-6-trimethylsilyloxypyridine-3-carboxylate has a molecular weight of 361.31 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-bis(trifluoromethyl)-6-trimethylsilyloxypyridine-3-carboxylate is sourced from PubChem (CID 10406262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).