methyl 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxopyridine-1-carboxylate

C15H12BrF2NO4 — CID 22050502

IUPACmethyl 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxopyridine-1-carboxylate
SMILESCOC(=O)n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O
InChIInChI=1S/C15H12BrF2NO4/c1-8-5-12(13(16)14(20)19(8)15(21)22-2)23-7-9-3-4-10(17)6-11(9)18/h3-6H,7H2,1-2H3
InChIKeyAIUWKEPUBKIRRO-UHFFFAOYSA-N
MW388.16 g/mol
LogP3.39
Rot. Bonds3

About methyl 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxopyridine-1-carboxylate

methyl 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxopyridine-1-carboxylate (PubChem CID 22050502) has the molecular formula C15H12BrF2NO4 and a molecular weight of 388.16 g/mol. Its IUPAC name is methyl 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxopyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxopyridine-1-carboxylate
PubChem CID22050502
Molecular FormulaC15H12BrF2NO4
Molecular Weight388.16 g/mol
Exact Mass386.99
IUPAC Namemethyl 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxopyridine-1-carboxylate
SMILESCOC(=O)n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O
InChIInChI=1S/C15H12BrF2NO4/c1-8-5-12(13(16)14(20)19(8)15(21)22-2)23-7-9-3-4-10(17)6-11(9)18/h3-6H,7H2,1-2H3
InChIKeyAIUWKEPUBKIRRO-UHFFFAOYSA-N
XLogP3.39
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.16
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxopyridine-1-carboxylate?
The IUPAC name of methyl 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxopyridine-1-carboxylate (CID 22050502) is methyl 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxopyridine-1-carboxylate.
What is the SMILES notation for methyl 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxopyridine-1-carboxylate?
The canonical SMILES for methyl 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxopyridine-1-carboxylate is COC(=O)n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O.
What is the InChIKey of methyl 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxopyridine-1-carboxylate?
The InChIKey is AIUWKEPUBKIRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO4/c1-8-5-12(13(16)14(20)19(8)15(21)22-2)23-7-9-3-4-10(17)6-11(9)18/h3-6H,7H2,1-2H3.
What are the key properties of methyl 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxopyridine-1-carboxylate?
methyl 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxopyridine-1-carboxylate has a molecular weight of 388.16 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxopyridine-1-carboxylate is sourced from PubChem (CID 22050502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).