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

C14H12BrNO4 — CID 661258

IUPACmethyl 5-bromo-1-(4-methoxyphenyl)-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cc(Br)c(=O)n(-c2ccc(OC)cc2)c1
InChIInChI=1S/C14H12BrNO4/c1-19-11-5-3-10(4-6-11)16-8-9(14(18)20-2)7-12(15)13(16)17/h3-8H,1-2H3
InChIKeyUYRLQEXRXVDMQL-UHFFFAOYSA-N
MW338.16 g/mol
LogP2.40
Rot. Bonds3

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

methyl 5-bromo-1-(4-methoxyphenyl)-6-oxopyridine-3-carboxylate (PubChem CID 661258) has the molecular formula C14H12BrNO4 and a molecular weight of 338.16 g/mol. Its IUPAC name is methyl 5-bromo-1-(4-methoxyphenyl)-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-1-(4-methoxyphenyl)-6-oxopyridine-3-carboxylate
PubChem CID661258
Molecular FormulaC14H12BrNO4
Molecular Weight338.16 g/mol
Exact Mass336.99
IUPAC Namemethyl 5-bromo-1-(4-methoxyphenyl)-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cc(Br)c(=O)n(-c2ccc(OC)cc2)c1
InChIInChI=1S/C14H12BrNO4/c1-19-11-5-3-10(4-6-11)16-8-9(14(18)20-2)7-12(15)13(16)17/h3-8H,1-2H3
InChIKeyUYRLQEXRXVDMQL-UHFFFAOYSA-N
XLogP2.40
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-1-(4-methoxyphenyl)-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 5-bromo-1-(4-methoxyphenyl)-6-oxopyridine-3-carboxylate (CID 661258) is methyl 5-bromo-1-(4-methoxyphenyl)-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 5-bromo-1-(4-methoxyphenyl)-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 5-bromo-1-(4-methoxyphenyl)-6-oxopyridine-3-carboxylate is COC(=O)c1cc(Br)c(=O)n(-c2ccc(OC)cc2)c1.
What is the InChIKey of methyl 5-bromo-1-(4-methoxyphenyl)-6-oxopyridine-3-carboxylate?
The InChIKey is UYRLQEXRXVDMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO4/c1-19-11-5-3-10(4-6-11)16-8-9(14(18)20-2)7-12(15)13(16)17/h3-8H,1-2H3.
What are the key properties of methyl 5-bromo-1-(4-methoxyphenyl)-6-oxopyridine-3-carboxylate?
methyl 5-bromo-1-(4-methoxyphenyl)-6-oxopyridine-3-carboxylate has a molecular weight of 338.16 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-1-(4-methoxyphenyl)-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 661258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).