3,6-dichloro-N-(3,5-dichloro-4-hydroxyphenyl)pyridazine-4-carboxamide

C11H5Cl4N3O2 — CID 136812221

IUPAC3,6-dichloro-N-(3,5-dichloro-4-hydroxyphenyl)pyridazine-4-carboxamide
SMILESO=C(Nc1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)nnc1Cl
InChIInChI=1S/C11H5Cl4N3O2/c12-6-1-4(2-7(13)9(6)19)16-11(20)5-3-8(14)17-18-10(5)15/h1-3,19H,(H,16,20)
InChIKeyHQNZYXZTARNGSA-UHFFFAOYSA-N
MW352.99 g/mol
LogP4.05
Rot. Bonds2

About 3,6-dichloro-N-(3,5-dichloro-4-hydroxyphenyl)pyridazine-4-carboxamide

3,6-dichloro-N-(3,5-dichloro-4-hydroxyphenyl)pyridazine-4-carboxamide (PubChem CID 136812221) has the molecular formula C11H5Cl4N3O2 and a molecular weight of 352.99 g/mol. Its IUPAC name is 3,6-dichloro-N-(3,5-dichloro-4-hydroxyphenyl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(3,5-dichloro-4-hydroxyphenyl)pyridazine-4-carboxamide
PubChem CID136812221
Molecular FormulaC11H5Cl4N3O2
Molecular Weight352.99 g/mol
Exact Mass350.91
IUPAC Name3,6-dichloro-N-(3,5-dichloro-4-hydroxyphenyl)pyridazine-4-carboxamide
SMILESO=C(Nc1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)nnc1Cl
InChIInChI=1S/C11H5Cl4N3O2/c12-6-1-4(2-7(13)9(6)19)16-11(20)5-3-8(14)17-18-10(5)15/h1-3,19H,(H,16,20)
InChIKeyHQNZYXZTARNGSA-UHFFFAOYSA-N
XLogP4.05
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.99
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-3,6-dichloropyridazine-4-carboxamide
CID 13456211
3,6-dichloro-N-(3,6-dichloropyridazin-4-yl)pyridazine-4-carboxamide
CID 87380086
3,6-dichloro-N-(3-methylphenyl)pyridazine-4-carboxamide
CID 13456213
3,6-dichloro-N-(2,4-dichlorophenyl)pyridazine-4-carboxamide
CID 13456235
3,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridazine-4-carboxamide
CID 61221964
N-(4-bromo-3-fluorophenyl)-3,6-dichloropyridazine-4-carboxamide
CID 114038522
3,6-dichloro-N-(2,4,6-trimethylphenyl)pyridazine-4-carboxamide
CID 103606412
3,6-dichloro-N-(3-methoxyphenyl)pyridazine-4-carboxamide
CID 6405267
3,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-4-carboxamide
CID 103609811
3,6-dichloro-N-(4-ethoxyphenyl)pyridazine-4-carboxamide
CID 13456224
N-(3,5-dichloro-4-hydroxyphenyl)-3-fluoropyridine-4-carboxamide
CID 82885551
N-(2-bromo-3-chlorophenyl)-3,6-dichloropyridazine-4-carboxamide
CID 114038582

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(3,5-dichloro-4-hydroxyphenyl)pyridazine-4-carboxamide?
The IUPAC name of 3,6-dichloro-N-(3,5-dichloro-4-hydroxyphenyl)pyridazine-4-carboxamide (CID 136812221) is 3,6-dichloro-N-(3,5-dichloro-4-hydroxyphenyl)pyridazine-4-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(3,5-dichloro-4-hydroxyphenyl)pyridazine-4-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(3,5-dichloro-4-hydroxyphenyl)pyridazine-4-carboxamide is O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N-(3,5-dichloro-4-hydroxyphenyl)pyridazine-4-carboxamide?
The InChIKey is HQNZYXZTARNGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl4N3O2/c12-6-1-4(2-7(13)9(6)19)16-11(20)5-3-8(14)17-18-10(5)15/h1-3,19H,(H,16,20).
What are the key properties of 3,6-dichloro-N-(3,5-dichloro-4-hydroxyphenyl)pyridazine-4-carboxamide?
3,6-dichloro-N-(3,5-dichloro-4-hydroxyphenyl)pyridazine-4-carboxamide has a molecular weight of 352.99 g/mol, XLogP of 4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(3,5-dichloro-4-hydroxyphenyl)pyridazine-4-carboxamide is sourced from PubChem (CID 136812221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).