4,5-dibromo-2-[2-(4-chlorophenyl)-2-methoxyiminoethyl]pyridazin-3-one

C13H10Br2ClN3O2 — CID 1474913

IUPAC4,5-dibromo-2-[2-(4-chlorophenyl)-2-methoxyiminoethyl]pyridazin-3-one
SMILESCON=C(Cn1ncc(Br)c(Br)c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H10Br2ClN3O2/c1-21-18-11(8-2-4-9(16)5-3-8)7-19-13(20)12(15)10(14)6-17-19/h2-6H,7H2,1H3
InChIKeySLDOWLPBQYXOLQ-UHFFFAOYSA-N
MW435.50 g/mol
LogP3.47
Rot. Bonds4

About 4,5-dibromo-2-[2-(4-chlorophenyl)-2-methoxyiminoethyl]pyridazin-3-one

4,5-dibromo-2-[2-(4-chlorophenyl)-2-methoxyiminoethyl]pyridazin-3-one (PubChem CID 1474913) has the molecular formula C13H10Br2ClN3O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is 4,5-dibromo-2-[2-(4-chlorophenyl)-2-methoxyiminoethyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dibromo-2-[2-(4-chlorophenyl)-2-methoxyiminoethyl]pyridazin-3-one
PubChem CID1474913
Molecular FormulaC13H10Br2ClN3O2
Molecular Weight435.50 g/mol
Exact Mass432.88
IUPAC Name4,5-dibromo-2-[2-(4-chlorophenyl)-2-methoxyiminoethyl]pyridazin-3-one
SMILESCON=C(Cn1ncc(Br)c(Br)c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H10Br2ClN3O2/c1-21-18-11(8-2-4-9(16)5-3-8)7-19-13(20)12(15)10(14)6-17-19/h2-6H,7H2,1H3
InChIKeySLDOWLPBQYXOLQ-UHFFFAOYSA-N
XLogP3.47
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

4,5-dibromo-2-ethylpyridazin-3-one
CID 10660506
5-chloro-2-[2-(4-chlorophenyl)-2-oxoethyl]-4-methylpyridazin-3-one
CID 166162785
4,5-dibromo-2-[(4-tert-butylphenyl)methyl]pyridazin-3-one
CID 31202795
4,5-dibromo-2-butylpyridazin-3-one
CID 10828722
methyl 2-[5-bromo-4-(methylamino)-6-oxopyridazin-1-yl]acetate
CID 114431666
methyl 5-[2-(4,5-dibromo-6-oxopyridazin-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 31203033
N-[1-(4-bromophenyl)ethyl]-2-(4,5-dibromo-6-oxopyridazin-1-yl)acetamide
CID 43042752
4-bromo-5-[(4-chlorophenyl)methoxy]-2-ethylpyridazin-3-one
CID 13373246
4,5-dibromo-2-[(3-methoxyphenyl)methyl]pyridazin-3-one
CID 115576901
2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 59574387
2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 31202356
2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 31523139

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-2-[2-(4-chlorophenyl)-2-methoxyiminoethyl]pyridazin-3-one?
The IUPAC name of 4,5-dibromo-2-[2-(4-chlorophenyl)-2-methoxyiminoethyl]pyridazin-3-one (CID 1474913) is 4,5-dibromo-2-[2-(4-chlorophenyl)-2-methoxyiminoethyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dibromo-2-[2-(4-chlorophenyl)-2-methoxyiminoethyl]pyridazin-3-one?
The canonical SMILES for 4,5-dibromo-2-[2-(4-chlorophenyl)-2-methoxyiminoethyl]pyridazin-3-one is CON=C(Cn1ncc(Br)c(Br)c1=O)c1ccc(Cl)cc1.
What is the InChIKey of 4,5-dibromo-2-[2-(4-chlorophenyl)-2-methoxyiminoethyl]pyridazin-3-one?
The InChIKey is SLDOWLPBQYXOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2ClN3O2/c1-21-18-11(8-2-4-9(16)5-3-8)7-19-13(20)12(15)10(14)6-17-19/h2-6H,7H2,1H3.
What are the key properties of 4,5-dibromo-2-[2-(4-chlorophenyl)-2-methoxyiminoethyl]pyridazin-3-one?
4,5-dibromo-2-[2-(4-chlorophenyl)-2-methoxyiminoethyl]pyridazin-3-one has a molecular weight of 435.50 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-[2-(4-chlorophenyl)-2-methoxyiminoethyl]pyridazin-3-one is sourced from PubChem (CID 1474913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).