methyl 4-hydroxy-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate

C15H12F3NO4 — CID 67104868

IUPACmethyl 4-hydroxy-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cn(Cc2ccc(C(F)(F)F)cc2)c(=O)cc1O
InChIInChI=1S/C15H12F3NO4/c1-23-14(22)11-8-19(13(21)6-12(11)20)7-9-2-4-10(5-3-9)15(16,17)18/h2-6,8,20H,7H2,1H3
InChIKeyDRFJVGSNHJOSJB-UHFFFAOYSA-N
MW327.26 g/mol
LogP2.41
Rot. Bonds3

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

methyl 4-hydroxy-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate (PubChem CID 67104868) has the molecular formula C15H12F3NO4 and a molecular weight of 327.26 g/mol. Its IUPAC name is methyl 4-hydroxy-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate
PubChem CID67104868
Molecular FormulaC15H12F3NO4
Molecular Weight327.26 g/mol
Exact Mass327.07
IUPAC Namemethyl 4-hydroxy-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cn(Cc2ccc(C(F)(F)F)cc2)c(=O)cc1O
InChIInChI=1S/C15H12F3NO4/c1-23-14(22)11-8-19(13(21)6-12(11)20)7-9-2-4-10(5-3-9)15(16,17)18/h2-6,8,20H,7H2,1H3
InChIKeyDRFJVGSNHJOSJB-UHFFFAOYSA-N
XLogP2.41
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 4-hydroxy-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate (CID 67104868) is methyl 4-hydroxy-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 4-hydroxy-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate is COC(=O)c1cn(Cc2ccc(C(F)(F)F)cc2)c(=O)cc1O.
What is the InChIKey of methyl 4-hydroxy-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate?
The InChIKey is DRFJVGSNHJOSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO4/c1-23-14(22)11-8-19(13(21)6-12(11)20)7-9-2-4-10(5-3-9)15(16,17)18/h2-6,8,20H,7H2,1H3.
What are the key properties of methyl 4-hydroxy-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate?
methyl 4-hydroxy-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate has a molecular weight of 327.26 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate is sourced from PubChem (CID 67104868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).