methyl 6-[bis(3-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate

C20H15F2NO3 — CID 69039562

IUPACmethyl 6-[bis(3-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(c2cccc(F)c2)c2cccc(F)c2)[nH]c1=O
InChIInChI=1S/C20H15F2NO3/c1-26-20(25)16-8-9-17(23-19(16)24)18(12-4-2-6-14(21)10-12)13-5-3-7-15(22)11-13/h2-11,18H,1H3,(H,23,24)
InChIKeyIJKRONZYUSLDOG-UHFFFAOYSA-N
MW355.34 g/mol
LogP3.62
Rot. Bonds4

About methyl 6-[bis(3-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate

methyl 6-[bis(3-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 69039562) has the molecular formula C20H15F2NO3 and a molecular weight of 355.34 g/mol. Its IUPAC name is methyl 6-[bis(3-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[bis(3-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate
PubChem CID69039562
Molecular FormulaC20H15F2NO3
Molecular Weight355.34 g/mol
Exact Mass355.10
IUPAC Namemethyl 6-[bis(3-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(c2cccc(F)c2)c2cccc(F)c2)[nH]c1=O
InChIInChI=1S/C20H15F2NO3/c1-26-20(25)16-8-9-17(23-19(16)24)18(12-4-2-6-14(21)10-12)13-5-3-7-15(22)11-13/h2-11,18H,1H3,(H,23,24)
InChIKeyIJKRONZYUSLDOG-UHFFFAOYSA-N
XLogP3.62
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylate
CID 12104680
Ethyl 7-(4-fluorophenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 16426799
Ethyl 7-(4-fluorophenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 16426799
Methyl 2,5-dioxo-7-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 17036300
4-Methyl-2-oxo-6-(3-trifluoromethyl-phenyl)-1,2-dihydro-pyridine-3-carboxylic acid methyl ester
CID 57441130
4-Methyl-2-oxo-6-(3-trifluoromethyl-phenyl)-1,2-dihydro-pyridine-3-carboxylic acid methyl ester
CID 57441130
methyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66489830
methyl 2-oxo-6-[4-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylate
CID 68261568
methyl 2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylate
CID 68261569
(4-fluorophenyl)methyl 6-[(4-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate
CID 68836003
methyl 6-[(4-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate
CID 68837048
(4-fluorophenyl)methyl 6-[(4-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate
CID 68836003

Frequently Asked Questions

What is the IUPAC name of methyl 6-[bis(3-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 6-[bis(3-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate (CID 69039562) is methyl 6-[bis(3-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[bis(3-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[bis(3-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate is COC(=O)c1ccc(C(c2cccc(F)c2)c2cccc(F)c2)[nH]c1=O.
What is the InChIKey of methyl 6-[bis(3-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is IJKRONZYUSLDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2NO3/c1-26-20(25)16-8-9-17(23-19(16)24)18(12-4-2-6-14(21)10-12)13-5-3-7-15(22)11-13/h2-11,18H,1H3,(H,23,24).
What are the key properties of methyl 6-[bis(3-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate?
methyl 6-[bis(3-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 355.34 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[bis(3-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 69039562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).