methyl 2-acetyl-5-bromo-1-methyl-6-oxopyridine-3-carboxylate

C10H10BrNO4 — CID 168985380

IUPACmethyl 2-acetyl-5-bromo-1-methyl-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cc(Br)c(=O)n(C)c1C(C)=O
InChIInChI=1S/C10H10BrNO4/c1-5(13)8-6(10(15)16-3)4-7(11)9(14)12(8)2/h4H,1-3H3
InChIKeyJIDPCWWUCOYXNF-UHFFFAOYSA-N
MW288.10 g/mol
LogP1.14
Rot. Bonds2

About methyl 2-acetyl-5-bromo-1-methyl-6-oxopyridine-3-carboxylate

methyl 2-acetyl-5-bromo-1-methyl-6-oxopyridine-3-carboxylate (PubChem CID 168985380) has the molecular formula C10H10BrNO4 and a molecular weight of 288.10 g/mol. Its IUPAC name is methyl 2-acetyl-5-bromo-1-methyl-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-acetyl-5-bromo-1-methyl-6-oxopyridine-3-carboxylate
PubChem CID168985380
Molecular FormulaC10H10BrNO4
Molecular Weight288.10 g/mol
Exact Mass286.98
IUPAC Namemethyl 2-acetyl-5-bromo-1-methyl-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cc(Br)c(=O)n(C)c1C(C)=O
InChIInChI=1S/C10H10BrNO4/c1-5(13)8-6(10(15)16-3)4-7(11)9(14)12(8)2/h4H,1-3H3
InChIKeyJIDPCWWUCOYXNF-UHFFFAOYSA-N
XLogP1.14
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.10
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-bromo-1,2-dimethyl-6-oxopyridine-3-carboxylate
CID 68929209
methyl 1-(4-acetylphenyl)-5-bromo-6-oxopyridine-3-carboxylate
CID 661069
methyl 6-acetyl-1,3-dimethyl-2-oxobenzimidazole-5-carboxylate
CID 167311064
methyl 5-bromo-6-oxo-1-phenylpyridine-3-carboxylate
CID 22318950
methyl 3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 12848812
methyl 5-bromo-1,3,3-trimethyl-2-oxoindole-6-carboxylate
CID 156537382
methyl 6-bromo-1-methyl-2-oxo-3H-benzimidazole-5-carboxylate
CID 131608298
methyl 5-bromo-2,4-dichlorobenzoate
CID 75360955
methyl 5-bromo-4-hydroxy-2-methylbenzoate
CID 131384435
methyl 3-bromo-2-(ethylamino)-5-methylbenzoate
CID 18802802
methyl 2-amino-5-bromo-6-chloropyridine-3-carboxylate
CID 131521858
trimethyl pyrrole-1,3,4-tricarboxylate
CID 91734196

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetyl-5-bromo-1-methyl-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 2-acetyl-5-bromo-1-methyl-6-oxopyridine-3-carboxylate (CID 168985380) is methyl 2-acetyl-5-bromo-1-methyl-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 2-acetyl-5-bromo-1-methyl-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 2-acetyl-5-bromo-1-methyl-6-oxopyridine-3-carboxylate is COC(=O)c1cc(Br)c(=O)n(C)c1C(C)=O.
What is the InChIKey of methyl 2-acetyl-5-bromo-1-methyl-6-oxopyridine-3-carboxylate?
The InChIKey is JIDPCWWUCOYXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO4/c1-5(13)8-6(10(15)16-3)4-7(11)9(14)12(8)2/h4H,1-3H3.
What are the key properties of methyl 2-acetyl-5-bromo-1-methyl-6-oxopyridine-3-carboxylate?
methyl 2-acetyl-5-bromo-1-methyl-6-oxopyridine-3-carboxylate has a molecular weight of 288.10 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetyl-5-bromo-1-methyl-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 168985380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).