ethyl 2-(2-amino-2-oxoethyl)-6-(3-bromophenyl)-3-oxopyridazine-4-carboxylate

C15H14BrN3O4 — CID 100785538

IUPACethyl 2-(2-amino-2-oxoethyl)-6-(3-bromophenyl)-3-oxopyridazine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(Br)c2)nn(CC(N)=O)c1=O
InChIInChI=1S/C15H14BrN3O4/c1-2-23-15(22)11-7-12(9-4-3-5-10(16)6-9)18-19(14(11)21)8-13(17)20/h3-7H,2,8H2,1H3,(H2,17,20)
InChIKeyNCKHPGFRSYHBQH-UHFFFAOYSA-N
MW380.20 g/mol
LogP1.33
Rot. Bonds5

About ethyl 2-(2-amino-2-oxoethyl)-6-(3-bromophenyl)-3-oxopyridazine-4-carboxylate

ethyl 2-(2-amino-2-oxoethyl)-6-(3-bromophenyl)-3-oxopyridazine-4-carboxylate (PubChem CID 100785538) has the molecular formula C15H14BrN3O4 and a molecular weight of 380.20 g/mol. Its IUPAC name is ethyl 2-(2-amino-2-oxoethyl)-6-(3-bromophenyl)-3-oxopyridazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-amino-2-oxoethyl)-6-(3-bromophenyl)-3-oxopyridazine-4-carboxylate
PubChem CID100785538
Molecular FormulaC15H14BrN3O4
Molecular Weight380.20 g/mol
Exact Mass379.02
IUPAC Nameethyl 2-(2-amino-2-oxoethyl)-6-(3-bromophenyl)-3-oxopyridazine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(Br)c2)nn(CC(N)=O)c1=O
InChIInChI=1S/C15H14BrN3O4/c1-2-23-15(22)11-7-12(9-4-3-5-10(16)6-9)18-19(14(11)21)8-13(17)20/h3-7H,2,8H2,1H3,(H2,17,20)
InChIKeyNCKHPGFRSYHBQH-UHFFFAOYSA-N
XLogP1.33
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.20
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(2-amino-2-oxoethyl)-6-(3,4-dimethylphenyl)-3-oxopyridazine-4-carboxylate
CID 100785607
ethyl 2-(2-amino-2-oxoethyl)-6-(4-nitrophenyl)-3-oxopyridazine-4-carboxylate
CID 100785584
2-(2-amino-2-oxoethyl)-6-(3-methoxyphenyl)-3-oxopyridazine-4-carboxylic acid
CID 100785224
ethyl 4-[2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]acetyl]piperazine-1-carboxylate
CID 41376301
ethyl 5-(3-bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986812
methyl 6-(3-bromophenyl)-1-(2-ethoxy-2-oxoethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19497977
ethyl N-[3-[[3-(3-bromophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 16747373
methyl 6-(3-bromophenyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19585747
ethyl 2-(3-bromophenyl)-6-(2,2-dimethylpropanoyl)-3-oxopyridazine-4-carboxylate
CID 100786074
ethyl 5-(3-bromophenyl)-1-methylpyrazole-3-carboxylate
CID 57428257
6-(3-bromophenyl)-2-[(2,5-dimethylphenyl)methyl]pyridazin-3-one
CID 8698923
ethyl 6-(4-ethoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate
CID 100785448

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-amino-2-oxoethyl)-6-(3-bromophenyl)-3-oxopyridazine-4-carboxylate?
The IUPAC name of ethyl 2-(2-amino-2-oxoethyl)-6-(3-bromophenyl)-3-oxopyridazine-4-carboxylate (CID 100785538) is ethyl 2-(2-amino-2-oxoethyl)-6-(3-bromophenyl)-3-oxopyridazine-4-carboxylate.
What is the SMILES notation for ethyl 2-(2-amino-2-oxoethyl)-6-(3-bromophenyl)-3-oxopyridazine-4-carboxylate?
The canonical SMILES for ethyl 2-(2-amino-2-oxoethyl)-6-(3-bromophenyl)-3-oxopyridazine-4-carboxylate is CCOC(=O)c1cc(-c2cccc(Br)c2)nn(CC(N)=O)c1=O.
What is the InChIKey of ethyl 2-(2-amino-2-oxoethyl)-6-(3-bromophenyl)-3-oxopyridazine-4-carboxylate?
The InChIKey is NCKHPGFRSYHBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O4/c1-2-23-15(22)11-7-12(9-4-3-5-10(16)6-9)18-19(14(11)21)8-13(17)20/h3-7H,2,8H2,1H3,(H2,17,20).
What are the key properties of ethyl 2-(2-amino-2-oxoethyl)-6-(3-bromophenyl)-3-oxopyridazine-4-carboxylate?
ethyl 2-(2-amino-2-oxoethyl)-6-(3-bromophenyl)-3-oxopyridazine-4-carboxylate has a molecular weight of 380.20 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-amino-2-oxoethyl)-6-(3-bromophenyl)-3-oxopyridazine-4-carboxylate is sourced from PubChem (CID 100785538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).