methyl 1,4-dimethyl-2-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate

C16H14F3NO3 — CID 57441131

IUPACmethyl 1,4-dimethyl-2-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
SMILESCOC(=O)c1c(C)cc(-c2cccc(C(F)(F)F)c2)n(C)c1=O
InChIInChI=1S/C16H14F3NO3/c1-9-7-12(20(2)14(21)13(9)15(22)23-3)10-5-4-6-11(8-10)16(17,18)19/h4-8H,1-3H3
InChIKeyYWYFYKDBTIVGLV-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.17
Rot. Bonds2

About methyl 1,4-dimethyl-2-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate

methyl 1,4-dimethyl-2-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate (PubChem CID 57441131) has the molecular formula C16H14F3NO3 and a molecular weight of 325.29 g/mol. Its IUPAC name is methyl 1,4-dimethyl-2-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1,4-dimethyl-2-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
PubChem CID57441131
Molecular FormulaC16H14F3NO3
Molecular Weight325.29 g/mol
Exact Mass325.09
IUPAC Namemethyl 1,4-dimethyl-2-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
SMILESCOC(=O)c1c(C)cc(-c2cccc(C(F)(F)F)c2)n(C)c1=O
InChIInChI=1S/C16H14F3NO3/c1-9-7-12(20(2)14(21)13(9)15(22)23-3)10-5-4-6-11(8-10)16(17,18)19/h4-8H,1-3H3
InChIKeyYWYFYKDBTIVGLV-UHFFFAOYSA-N
XLogP3.17
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-2-oxo-5,6-diphenyl-1,2-dihydro-pyridine-3-carboxylic acid methyl ester
CID 10860149
1,1-Dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]furo[3,4-c]pyridine-3,4-dione
CID 70686012
Methyl 1,4-dibenzyl-2-oxopyridine-3-carboxylate
CID 57390343
Methyl 1-benzyl-2-oxo-4-phenylpyridine-3-carboxylate
CID 57393891
Methyl 1-benzyl-4-(4-methylphenyl)-2-oxopyridine-3-carboxylate
CID 57399106
Ethyl 1-benzyl-5,5-dimethyl-2-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxylate
CID 11654900
2-Oxo-1-[3-(Trifluoromethyl)Benzyl]-1,2-Dihydro-3-Pyridinecarboxylic Acid
CID 2775906
1-Benzyl-3-(trifluoromethyl)-4-methoxy-6-methylpyridine-2(1H)-one
CID 122401259
ethyl 4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carboxylate
CID 13837924
Methyl 1-(3,5-bis(trifluoromethyl)benzyl)-2-oxo-1,2-dihydro-3-pyridinecarboxylate
CID 3759227
Methyl 2-oxo-1-[3-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarboxylate
CID 1478466
Methyl 5-chloro-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate
CID 1485978

Frequently Asked Questions

What is the IUPAC name of methyl 1,4-dimethyl-2-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate?
The IUPAC name of methyl 1,4-dimethyl-2-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate (CID 57441131) is methyl 1,4-dimethyl-2-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 1,4-dimethyl-2-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 1,4-dimethyl-2-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate is COC(=O)c1c(C)cc(-c2cccc(C(F)(F)F)c2)n(C)c1=O.
What is the InChIKey of methyl 1,4-dimethyl-2-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate?
The InChIKey is YWYFYKDBTIVGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO3/c1-9-7-12(20(2)14(21)13(9)15(22)23-3)10-5-4-6-11(8-10)16(17,18)19/h4-8H,1-3H3.
What are the key properties of methyl 1,4-dimethyl-2-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate?
methyl 1,4-dimethyl-2-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate has a molecular weight of 325.29 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,4-dimethyl-2-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate is sourced from PubChem (CID 57441131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).