methyl 2,6-bis[4-(trifluoromethoxy)phenyl]pyridine-4-carboxylate

C21H13F6NO4 — CID 134634051

IUPACmethyl 2,6-bis[4-(trifluoromethoxy)phenyl]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)nc(-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C21H13F6NO4/c1-30-19(29)14-10-17(12-2-6-15(7-3-12)31-20(22,23)24)28-18(11-14)13-4-8-16(9-5-13)32-21(25,26)27/h2-11H,1H3
InChIKeyDSVARBXCBMNJTM-UHFFFAOYSA-N
MW457.33 g/mol
LogP6.00
Rot. Bonds5

About methyl 2,6-bis[4-(trifluoromethoxy)phenyl]pyridine-4-carboxylate

methyl 2,6-bis[4-(trifluoromethoxy)phenyl]pyridine-4-carboxylate (PubChem CID 134634051) has the molecular formula C21H13F6NO4 and a molecular weight of 457.33 g/mol. Its IUPAC name is methyl 2,6-bis[4-(trifluoromethoxy)phenyl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2,6-bis[4-(trifluoromethoxy)phenyl]pyridine-4-carboxylate
PubChem CID134634051
Molecular FormulaC21H13F6NO4
Molecular Weight457.33 g/mol
Exact Mass457.07
IUPAC Namemethyl 2,6-bis[4-(trifluoromethoxy)phenyl]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)nc(-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C21H13F6NO4/c1-30-19(29)14-10-17(12-2-6-15(7-3-12)31-20(22,23)24)28-18(11-14)13-4-8-16(9-5-13)32-21(25,26)27/h2-11H,1H3
InChIKeyDSVARBXCBMNJTM-UHFFFAOYSA-N
XLogP6.00
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.33
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2,6-bis[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate
CID 134634052
methyl 4-amino-3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
CID 22677364
methyl 2-chloro-6-(4-methoxyphenyl)pyridine-4-carboxylate
CID 91873021
methyl 6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate
CID 167450862
methyl 2-fluoro-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate
CID 133089873
methyl 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyridine-4-carboxylate
CID 44722916
methyl 3-amino-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
CID 133086897
2,6-bis[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine
CID 134618302
methyl 3-(4-chlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazole-5-carboxylate
CID 175820685
ethane;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate
CID 144796191
7-methoxy-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid
CID 18073526
methyl 4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzoate
CID 66707351

Frequently Asked Questions

What is the IUPAC name of methyl 2,6-bis[4-(trifluoromethoxy)phenyl]pyridine-4-carboxylate?
The IUPAC name of methyl 2,6-bis[4-(trifluoromethoxy)phenyl]pyridine-4-carboxylate (CID 134634051) is methyl 2,6-bis[4-(trifluoromethoxy)phenyl]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2,6-bis[4-(trifluoromethoxy)phenyl]pyridine-4-carboxylate?
The canonical SMILES for methyl 2,6-bis[4-(trifluoromethoxy)phenyl]pyridine-4-carboxylate is COC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)nc(-c2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of methyl 2,6-bis[4-(trifluoromethoxy)phenyl]pyridine-4-carboxylate?
The InChIKey is DSVARBXCBMNJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F6NO4/c1-30-19(29)14-10-17(12-2-6-15(7-3-12)31-20(22,23)24)28-18(11-14)13-4-8-16(9-5-13)32-21(25,26)27/h2-11H,1H3.
What are the key properties of methyl 2,6-bis[4-(trifluoromethoxy)phenyl]pyridine-4-carboxylate?
methyl 2,6-bis[4-(trifluoromethoxy)phenyl]pyridine-4-carboxylate has a molecular weight of 457.33 g/mol, XLogP of 6.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,6-bis[4-(trifluoromethoxy)phenyl]pyridine-4-carboxylate is sourced from PubChem (CID 134634051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).