methyl 1-(4-bromo-2-ethylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate

C15H15BrN2O3 — CID 81289323

IUPACmethyl 1-(4-bromo-2-ethylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate
SMILESCCc1cc(Br)ccc1-n1cc(C)c(=O)c(C(=O)OC)n1
InChIInChI=1S/C15H15BrN2O3/c1-4-10-7-11(16)5-6-12(10)18-8-9(2)14(19)13(17-18)15(20)21-3/h5-8H,4H2,1-3H3
InChIKeyMKOGCJGFDNQCTB-UHFFFAOYSA-N
MW351.20 g/mol
LogP2.65
Rot. Bonds3

About methyl 1-(4-bromo-2-ethylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate

methyl 1-(4-bromo-2-ethylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate (PubChem CID 81289323) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is methyl 1-(4-bromo-2-ethylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-bromo-2-ethylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate
PubChem CID81289323
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Namemethyl 1-(4-bromo-2-ethylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate
SMILESCCc1cc(Br)ccc1-n1cc(C)c(=O)c(C(=O)OC)n1
InChIInChI=1S/C15H15BrN2O3/c1-4-10-7-11(16)5-6-12(10)18-8-9(2)14(19)13(17-18)15(20)21-3/h5-8H,4H2,1-3H3
InChIKeyMKOGCJGFDNQCTB-UHFFFAOYSA-N
XLogP2.65
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(4-bromo-2-chlorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylate
CID 63951428
methyl 1-(2,4-dimethylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate
CID 63953612
methyl 1-(3-bromo-2-methylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate
CID 107627497
methyl 1-(5-chloro-2-methylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate
CID 63952442
1-(4-bromo-2-chlorophenyl)-5-methyl-4-oxopyridazine-3-carboxylic acid
CID 63953833
methyl 1-(4-bromo-3-chlorophenyl)-5-methyl-4-oxopyridazine-3-carboxylate
CID 107617183
dimethyl 1-(4-bromo-2-chlorophenyl)pyrazole-3,4-dicarboxylate
CID 3589679
methyl 1-(3,5-dichlorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylate
CID 63951630
ethyl 1-(3-bromophenyl)-5-ethyl-4-oxopyridazine-3-carboxylate
CID 63952233
methyl 5-ethyl-1-(4-iodophenyl)-4-oxopyridazine-3-carboxylate
CID 63953636
ethyl 1-(4-bromo-2-methylphenyl)-4-oxopyridazine-3-carboxylate
CID 81286998
methyl 5-bromo-2-(3-methyl-1,2,4-triazol-1-yl)benzoate
CID 166607503

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-bromo-2-ethylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate?
The IUPAC name of methyl 1-(4-bromo-2-ethylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate (CID 81289323) is methyl 1-(4-bromo-2-ethylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate.
What is the SMILES notation for methyl 1-(4-bromo-2-ethylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate?
The canonical SMILES for methyl 1-(4-bromo-2-ethylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate is CCc1cc(Br)ccc1-n1cc(C)c(=O)c(C(=O)OC)n1.
What is the InChIKey of methyl 1-(4-bromo-2-ethylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate?
The InChIKey is MKOGCJGFDNQCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-4-10-7-11(16)5-6-12(10)18-8-9(2)14(19)13(17-18)15(20)21-3/h5-8H,4H2,1-3H3.
What are the key properties of methyl 1-(4-bromo-2-ethylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate?
methyl 1-(4-bromo-2-ethylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate has a molecular weight of 351.20 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-bromo-2-ethylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate is sourced from PubChem (CID 81289323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).