ethyl (2Z)-2-bromo-2-[(6-chloropyridazin-3-yl)hydrazinylidene]acetate

C8H8BrClN4O2 — CID 12606969

IUPACethyl (2Z)-2-bromo-2-[(6-chloropyridazin-3-yl)hydrazinylidene]acetate
SMILESCCOC(=O)/C(Br)=N/Nc1ccc(Cl)nn1
InChIInChI=1S/C8H8BrClN4O2/c1-2-16-8(15)7(9)14-13-6-4-3-5(10)11-12-6/h3-4H,2H2,1H3,(H,12,13)/b14-7-
InChIKeyBKDVICFYWVIZMG-AUWJEWJLSA-N
MW307.54 g/mol
LogP1.81
Rot. Bonds4

About ethyl (2Z)-2-bromo-2-[(6-chloropyridazin-3-yl)hydrazinylidene]acetate

ethyl (2Z)-2-bromo-2-[(6-chloropyridazin-3-yl)hydrazinylidene]acetate (PubChem CID 12606969) has the molecular formula C8H8BrClN4O2 and a molecular weight of 307.54 g/mol. Its IUPAC name is ethyl (2Z)-2-bromo-2-[(6-chloropyridazin-3-yl)hydrazinylidene]acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-bromo-2-[(6-chloropyridazin-3-yl)hydrazinylidene]acetate
PubChem CID12606969
Molecular FormulaC8H8BrClN4O2
Molecular Weight307.54 g/mol
Exact Mass305.95
IUPAC Nameethyl (2Z)-2-bromo-2-[(6-chloropyridazin-3-yl)hydrazinylidene]acetate
SMILESCCOC(=O)/C(Br)=N/Nc1ccc(Cl)nn1
InChIInChI=1S/C8H8BrClN4O2/c1-2-16-8(15)7(9)14-13-6-4-3-5(10)11-12-6/h3-4H,2H2,1H3,(H,12,13)/b14-7-
InChIKeyBKDVICFYWVIZMG-AUWJEWJLSA-N
XLogP1.81
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.54
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-bromo-2-[(4-chlorophenyl)hydrazinylidene]acetate
CID 71443533
ethyl (E)-2-[[(3E)-3-[(6-chloropyridazin-3-yl)hydrazinylidene]-1-ethoxy-1-oxopropan-2-yl]iminomethyl]-3-hydroxybut-2-enoate
CID 135542111
ethyl 2-bromo-2-(methylhydrazinylidene)acetate
CID 86223130
ethyl (2Z)-2-bromo-2-(methylcarbamoylhydrazinylidene)acetate
CID 15561703
4-amino-N-(6-chloropyridazin-3-yl)-3-ethoxybutanamide
CID 114227565
N-(6-chloropyridazin-3-yl)-5-methylthiophene-2-carboxamide
CID 115608643
ethyl 3-[(6-chloropyridazin-3-yl)amino]adamantane-1-carboxylate
CID 164589724
ethyl 2-[(6-chloropyridazine-3-carbonyl)amino]propanoate
CID 54960391
N'-(6-chloropyridazin-3-yl)acetohydrazide
CID 13016474
2-bromo-N-(6-chloropyridazin-3-yl)propanamide
CID 107905835
tert-butyl N-(6-chloropyridazin-3-yl)carbamate
CID 57415766
diethyl 2-[[(6-chloro-3-pyridinyl)amino]methylidene]propanedioate
CID 619868

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-bromo-2-[(6-chloropyridazin-3-yl)hydrazinylidene]acetate?
The IUPAC name of ethyl (2Z)-2-bromo-2-[(6-chloropyridazin-3-yl)hydrazinylidene]acetate (CID 12606969) is ethyl (2Z)-2-bromo-2-[(6-chloropyridazin-3-yl)hydrazinylidene]acetate.
What is the SMILES notation for ethyl (2Z)-2-bromo-2-[(6-chloropyridazin-3-yl)hydrazinylidene]acetate?
The canonical SMILES for ethyl (2Z)-2-bromo-2-[(6-chloropyridazin-3-yl)hydrazinylidene]acetate is CCOC(=O)/C(Br)=N/Nc1ccc(Cl)nn1.
What is the InChIKey of ethyl (2Z)-2-bromo-2-[(6-chloropyridazin-3-yl)hydrazinylidene]acetate?
The InChIKey is BKDVICFYWVIZMG-AUWJEWJLSA-N. The full InChI is InChI=1S/C8H8BrClN4O2/c1-2-16-8(15)7(9)14-13-6-4-3-5(10)11-12-6/h3-4H,2H2,1H3,(H,12,13)/b14-7-.
What are the key properties of ethyl (2Z)-2-bromo-2-[(6-chloropyridazin-3-yl)hydrazinylidene]acetate?
ethyl (2Z)-2-bromo-2-[(6-chloropyridazin-3-yl)hydrazinylidene]acetate has a molecular weight of 307.54 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-bromo-2-[(6-chloropyridazin-3-yl)hydrazinylidene]acetate is sourced from PubChem (CID 12606969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).