methyl 5-bromo-1,2-dimethyl-6-oxopyridine-3-carboxylate

C9H10BrNO3 — CID 68929209

IUPACmethyl 5-bromo-1,2-dimethyl-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cc(Br)c(=O)n(C)c1C
InChIInChI=1S/C9H10BrNO3/c1-5-6(9(13)14-3)4-7(10)8(12)11(5)2/h4H,1-3H3
InChIKeyGJMCVGUPNVRGMM-UHFFFAOYSA-N
MW260.09 g/mol
LogP1.24
Rot. Bonds1

About methyl 5-bromo-1,2-dimethyl-6-oxopyridine-3-carboxylate

methyl 5-bromo-1,2-dimethyl-6-oxopyridine-3-carboxylate (PubChem CID 68929209) has the molecular formula C9H10BrNO3 and a molecular weight of 260.09 g/mol. Its IUPAC name is methyl 5-bromo-1,2-dimethyl-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-1,2-dimethyl-6-oxopyridine-3-carboxylate
PubChem CID68929209
Molecular FormulaC9H10BrNO3
Molecular Weight260.09 g/mol
Exact Mass258.98
IUPAC Namemethyl 5-bromo-1,2-dimethyl-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cc(Br)c(=O)n(C)c1C
InChIInChI=1S/C9H10BrNO3/c1-5-6(9(13)14-3)4-7(10)8(12)11(5)2/h4H,1-3H3
InChIKeyGJMCVGUPNVRGMM-UHFFFAOYSA-N
XLogP1.24
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 5-bromo-1,2-dimethyl-6-oxopyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-acetyl-5-bromo-1-methyl-6-oxopyridine-3-carboxylate
CID 168985380
methyl 1,2-dimethyl-6-oxopyridine-3-carboxylate
CID 68929462
methyl 2-bromo-5-methylbenzoate
CID 15110996
methyl 1,2-dimethyl-5-(2,3,4,5-tetramethylphenyl)pyrrole-3-carboxylate
CID 159349463
methyl 5-bromo-4-hydroxy-2-methylbenzoate
CID 131384435
methyl 5-bromo-2-methoxy-6-methylpyridine-3-carboxylate
CID 59411423
methyl 5-bromo-6-oxo-1-phenylpyridine-3-carboxylate
CID 22318950
methyl 6-bromo-1-methyl-2-oxo-3H-benzimidazole-5-carboxylate
CID 131608298
methyl 5-bromo-1,3,3-trimethyl-2-oxoindole-6-carboxylate
CID 156537382
methyl 5-bromo-2,4-dichlorobenzoate
CID 75360955
methyl 1,2-dimethyl-5-[[[2-(methylamino)-2-oxoethyl]amino]methyl]pyrrole-3-carboxylate
CID 114273533
methyl 1-(4-acetylphenyl)-5-bromo-6-oxopyridine-3-carboxylate
CID 661069

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-1,2-dimethyl-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 5-bromo-1,2-dimethyl-6-oxopyridine-3-carboxylate (CID 68929209) is methyl 5-bromo-1,2-dimethyl-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 5-bromo-1,2-dimethyl-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 5-bromo-1,2-dimethyl-6-oxopyridine-3-carboxylate is COC(=O)c1cc(Br)c(=O)n(C)c1C.
What is the InChIKey of methyl 5-bromo-1,2-dimethyl-6-oxopyridine-3-carboxylate?
The InChIKey is GJMCVGUPNVRGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3/c1-5-6(9(13)14-3)4-7(10)8(12)11(5)2/h4H,1-3H3.
What are the key properties of methyl 5-bromo-1,2-dimethyl-6-oxopyridine-3-carboxylate?
methyl 5-bromo-1,2-dimethyl-6-oxopyridine-3-carboxylate has a molecular weight of 260.09 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-1,2-dimethyl-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 68929209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).