methyl 5-bromo-1-(3-methylphenyl)-2-oxopyridine-3-carboxylate

C14H12BrNO3 — CID 165416841

IUPACmethyl 5-bromo-1-(3-methylphenyl)-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cc(Br)cn(-c2cccc(C)c2)c1=O
InChIInChI=1S/C14H12BrNO3/c1-9-4-3-5-11(6-9)16-8-10(15)7-12(13(16)17)14(18)19-2/h3-8H,1-2H3
InChIKeyOKHCADMAOHEDMV-UHFFFAOYSA-N
MW322.16 g/mol
LogP2.70
Rot. Bonds2

About methyl 5-bromo-1-(3-methylphenyl)-2-oxopyridine-3-carboxylate

methyl 5-bromo-1-(3-methylphenyl)-2-oxopyridine-3-carboxylate (PubChem CID 165416841) has the molecular formula C14H12BrNO3 and a molecular weight of 322.16 g/mol. Its IUPAC name is methyl 5-bromo-1-(3-methylphenyl)-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-1-(3-methylphenyl)-2-oxopyridine-3-carboxylate
PubChem CID165416841
Molecular FormulaC14H12BrNO3
Molecular Weight322.16 g/mol
Exact Mass321.00
IUPAC Namemethyl 5-bromo-1-(3-methylphenyl)-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cc(Br)cn(-c2cccc(C)c2)c1=O
InChIInChI=1S/C14H12BrNO3/c1-9-4-3-5-11(6-9)16-8-10(15)7-12(13(16)17)14(18)19-2/h3-8H,1-2H3
InChIKeyOKHCADMAOHEDMV-UHFFFAOYSA-N
XLogP2.70
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 5-bromo-1-(3-methylphenyl)-2-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-(3-methylphenyl)-3-oxo-1H-pyrazole-4-carboxylate
CID 66490214
2,2-dimethylpropyl 5-bromo-2-oxo-1-phenylpyridine-3-carboxylate
CID 122512915
methyl 7-methyl-1-oxo-2-phenylisoquinoline-4-carboxylate
CID 177224142
methyl 1-benzyl-5-bromo-2-oxopyridine-3-carboxylate
CID 126648415
methyl 5-(3-methoxyphenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495889
methyl 5-(4-chlorophenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495853
methyl 5-bromo-6-oxo-1-phenylpyridine-3-carboxylate
CID 22318950
methyl 5-(4-acetamidophenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495921
methyl 5-(2-fluorophenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495772
methyl 5-(1,3-dihydroxy-2-methylpropan-2-yl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495916
methyl 5-bromo-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate
CID 69345221
methyl 5-bromo-1-butyl-2-oxopyridine-3-carboxylate
CID 165416851

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-1-(3-methylphenyl)-2-oxopyridine-3-carboxylate?
The IUPAC name of methyl 5-bromo-1-(3-methylphenyl)-2-oxopyridine-3-carboxylate (CID 165416841) is methyl 5-bromo-1-(3-methylphenyl)-2-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 5-bromo-1-(3-methylphenyl)-2-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 5-bromo-1-(3-methylphenyl)-2-oxopyridine-3-carboxylate is COC(=O)c1cc(Br)cn(-c2cccc(C)c2)c1=O.
What is the InChIKey of methyl 5-bromo-1-(3-methylphenyl)-2-oxopyridine-3-carboxylate?
The InChIKey is OKHCADMAOHEDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO3/c1-9-4-3-5-11(6-9)16-8-10(15)7-12(13(16)17)14(18)19-2/h3-8H,1-2H3.
What are the key properties of methyl 5-bromo-1-(3-methylphenyl)-2-oxopyridine-3-carboxylate?
methyl 5-bromo-1-(3-methylphenyl)-2-oxopyridine-3-carboxylate has a molecular weight of 322.16 g/mol, XLogP of 2.70, 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-(3-methylphenyl)-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 165416841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).