ethyl 2-(4,5-dibromo-6-oxo-1H-pyridazin-3-yl)acetate

C8H8Br2N2O3 — CID 91124643

IUPACethyl 2-(4,5-dibromo-6-oxo-1H-pyridazin-3-yl)acetate
SMILESCCOC(=O)Cc1n[nH]c(=O)c(Br)c1Br
InChIInChI=1S/C8H8Br2N2O3/c1-2-15-5(13)3-4-6(9)7(10)8(14)12-11-4/h2-3H2,1H3,(H,12,14)
InChIKeyRAFCWCPLKUNSJS-UHFFFAOYSA-N
MW339.97 g/mol
LogP1.40
Rot. Bonds3

About ethyl 2-(4,5-dibromo-6-oxo-1H-pyridazin-3-yl)acetate

ethyl 2-(4,5-dibromo-6-oxo-1H-pyridazin-3-yl)acetate (PubChem CID 91124643) has the molecular formula C8H8Br2N2O3 and a molecular weight of 339.97 g/mol. Its IUPAC name is ethyl 2-(4,5-dibromo-6-oxo-1H-pyridazin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4,5-dibromo-6-oxo-1H-pyridazin-3-yl)acetate
PubChem CID91124643
Molecular FormulaC8H8Br2N2O3
Molecular Weight339.97 g/mol
Exact Mass337.89
IUPAC Nameethyl 2-(4,5-dibromo-6-oxo-1H-pyridazin-3-yl)acetate
SMILESCCOC(=O)Cc1n[nH]c(=O)c(Br)c1Br
InChIInChI=1S/C8H8Br2N2O3/c1-2-15-5(13)3-4-6(9)7(10)8(14)12-11-4/h2-3H2,1H3,(H,12,14)
InChIKeyRAFCWCPLKUNSJS-UHFFFAOYSA-N
XLogP1.40
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.97
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetate
CID 66965956
ethyl 2-(3-bromo-6-methyl-2-pyridinyl)acetate
CID 171029890
ethyl 2-(3,6-dibromo-2-pyridinyl)acetate
CID 121228136
(2-bromophenyl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7789873
ethyl 2-(5-bromo-2,4,6-trimethyl-3-pyridinyl)acetate
CID 126615435
ethyl 2-(4-amino-1,2,5-oxadiazol-3-yl)acetate
CID 82358306
ethyl 2-(5-bromo-2H-indazol-3-yl)acetate
CID 54553122
CID 158810794
CID 158810794
ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-ethylamino]acetate
CID 62004942
ethyl 2-(2-amino-5-ethyl-1,3-thiazol-4-yl)acetate
CID 817050
ethyl 2-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)acetate
CID 22759395
ethyl 2-(1H-pyrazol-4-yl)acetate
CID 20555345

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4,5-dibromo-6-oxo-1H-pyridazin-3-yl)acetate?
The IUPAC name of ethyl 2-(4,5-dibromo-6-oxo-1H-pyridazin-3-yl)acetate (CID 91124643) is ethyl 2-(4,5-dibromo-6-oxo-1H-pyridazin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(4,5-dibromo-6-oxo-1H-pyridazin-3-yl)acetate?
The canonical SMILES for ethyl 2-(4,5-dibromo-6-oxo-1H-pyridazin-3-yl)acetate is CCOC(=O)Cc1n[nH]c(=O)c(Br)c1Br.
What is the InChIKey of ethyl 2-(4,5-dibromo-6-oxo-1H-pyridazin-3-yl)acetate?
The InChIKey is RAFCWCPLKUNSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2N2O3/c1-2-15-5(13)3-4-6(9)7(10)8(14)12-11-4/h2-3H2,1H3,(H,12,14).
What are the key properties of ethyl 2-(4,5-dibromo-6-oxo-1H-pyridazin-3-yl)acetate?
ethyl 2-(4,5-dibromo-6-oxo-1H-pyridazin-3-yl)acetate has a molecular weight of 339.97 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4,5-dibromo-6-oxo-1H-pyridazin-3-yl)acetate is sourced from PubChem (CID 91124643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).