methyl 5-bromo-1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate

C13H9BrFNO3 — CID 940237

IUPACmethyl 5-bromo-1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cc(Br)c(=O)n(-c2ccc(F)cc2)c1
InChIInChI=1S/C13H9BrFNO3/c1-19-13(18)8-6-11(14)12(17)16(7-8)10-4-2-9(15)3-5-10/h2-7H,1H3
InChIKeyMFLOEMJHBPDMHW-UHFFFAOYSA-N
MW326.12 g/mol
LogP2.53
Rot. Bonds2

About methyl 5-bromo-1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate

methyl 5-bromo-1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate (PubChem CID 940237) has the molecular formula C13H9BrFNO3 and a molecular weight of 326.12 g/mol. Its IUPAC name is methyl 5-bromo-1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate
PubChem CID940237
Molecular FormulaC13H9BrFNO3
Molecular Weight326.12 g/mol
Exact Mass324.97
IUPAC Namemethyl 5-bromo-1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cc(Br)c(=O)n(-c2ccc(F)cc2)c1
InChIInChI=1S/C13H9BrFNO3/c1-19-13(18)8-6-11(14)12(17)16(7-8)10-4-2-9(15)3-5-10/h2-7H,1H3
InChIKeyMFLOEMJHBPDMHW-UHFFFAOYSA-N
XLogP2.53
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.12
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 5-bromo-1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate (CID 940237) is methyl 5-bromo-1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 5-bromo-1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 5-bromo-1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate is COC(=O)c1cc(Br)c(=O)n(-c2ccc(F)cc2)c1.
What is the InChIKey of methyl 5-bromo-1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate?
The InChIKey is MFLOEMJHBPDMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO3/c1-19-13(18)8-6-11(14)12(17)16(7-8)10-4-2-9(15)3-5-10/h2-7H,1H3.
What are the key properties of methyl 5-bromo-1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate?
methyl 5-bromo-1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate has a molecular weight of 326.12 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 940237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).