methyl 6-oxo-1-phenylmethoxy-5-(trifluoromethyl)-2,3-dihydropyridine-2-carboxylate

C15H14F3NO4 — CID 101459110

IUPACmethyl 6-oxo-1-phenylmethoxy-5-(trifluoromethyl)-2,3-dihydropyridine-2-carboxylate
SMILESCOC(=O)C1CC=C(C(F)(F)F)C(=O)N1OCc1ccccc1
InChIInChI=1S/C15H14F3NO4/c1-22-14(21)12-8-7-11(15(16,17)18)13(20)19(12)23-9-10-5-3-2-4-6-10/h2-7,12H,8-9H2,1H3
InChIKeyHTRQMRZTISZCAD-UHFFFAOYSA-N
MW329.27 g/mol
LogP2.38
Rot. Bonds4

About methyl 6-oxo-1-phenylmethoxy-5-(trifluoromethyl)-2,3-dihydropyridine-2-carboxylate

methyl 6-oxo-1-phenylmethoxy-5-(trifluoromethyl)-2,3-dihydropyridine-2-carboxylate (PubChem CID 101459110) has the molecular formula C15H14F3NO4 and a molecular weight of 329.27 g/mol. Its IUPAC name is methyl 6-oxo-1-phenylmethoxy-5-(trifluoromethyl)-2,3-dihydropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-oxo-1-phenylmethoxy-5-(trifluoromethyl)-2,3-dihydropyridine-2-carboxylate
PubChem CID101459110
Molecular FormulaC15H14F3NO4
Molecular Weight329.27 g/mol
Exact Mass329.09
IUPAC Namemethyl 6-oxo-1-phenylmethoxy-5-(trifluoromethyl)-2,3-dihydropyridine-2-carboxylate
SMILESCOC(=O)C1CC=C(C(F)(F)F)C(=O)N1OCc1ccccc1
InChIInChI=1S/C15H14F3NO4/c1-22-14(21)12-8-7-11(15(16,17)18)13(20)19(12)23-9-10-5-3-2-4-6-10/h2-7,12H,8-9H2,1H3
InChIKeyHTRQMRZTISZCAD-UHFFFAOYSA-N
XLogP2.38
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-oxo-1-phenylmethoxy-5-(trifluoromethyl)-2,3-dihydropyridine-2-carboxylate?
The IUPAC name of methyl 6-oxo-1-phenylmethoxy-5-(trifluoromethyl)-2,3-dihydropyridine-2-carboxylate (CID 101459110) is methyl 6-oxo-1-phenylmethoxy-5-(trifluoromethyl)-2,3-dihydropyridine-2-carboxylate.
What is the SMILES notation for methyl 6-oxo-1-phenylmethoxy-5-(trifluoromethyl)-2,3-dihydropyridine-2-carboxylate?
The canonical SMILES for methyl 6-oxo-1-phenylmethoxy-5-(trifluoromethyl)-2,3-dihydropyridine-2-carboxylate is COC(=O)C1CC=C(C(F)(F)F)C(=O)N1OCc1ccccc1.
What is the InChIKey of methyl 6-oxo-1-phenylmethoxy-5-(trifluoromethyl)-2,3-dihydropyridine-2-carboxylate?
The InChIKey is HTRQMRZTISZCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO4/c1-22-14(21)12-8-7-11(15(16,17)18)13(20)19(12)23-9-10-5-3-2-4-6-10/h2-7,12H,8-9H2,1H3.
What are the key properties of methyl 6-oxo-1-phenylmethoxy-5-(trifluoromethyl)-2,3-dihydropyridine-2-carboxylate?
methyl 6-oxo-1-phenylmethoxy-5-(trifluoromethyl)-2,3-dihydropyridine-2-carboxylate has a molecular weight of 329.27 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-oxo-1-phenylmethoxy-5-(trifluoromethyl)-2,3-dihydropyridine-2-carboxylate is sourced from PubChem (CID 101459110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).