N-(2-bromo-3-chlorophenyl)-3,6-dichloropyridazine-4-carboxamide

C11H5BrCl3N3O — CID 114038582

IUPACN-(2-bromo-3-chlorophenyl)-3,6-dichloropyridazine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Br)c1cc(Cl)nnc1Cl
InChIInChI=1S/C11H5BrCl3N3O/c12-9-6(13)2-1-3-7(9)16-11(19)5-4-8(14)17-18-10(5)15/h1-4H,(H,16,19)
InChIKeyKYRMBCQROJULLN-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.45
Rot. Bonds2

About N-(2-bromo-3-chlorophenyl)-3,6-dichloropyridazine-4-carboxamide

N-(2-bromo-3-chlorophenyl)-3,6-dichloropyridazine-4-carboxamide (PubChem CID 114038582) has the molecular formula C11H5BrCl3N3O and a molecular weight of 381.44 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-3,6-dichloropyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-3,6-dichloropyridazine-4-carboxamide
PubChem CID114038582
Molecular FormulaC11H5BrCl3N3O
Molecular Weight381.44 g/mol
Exact Mass378.87
IUPAC NameN-(2-bromo-3-chlorophenyl)-3,6-dichloropyridazine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Br)c1cc(Cl)nnc1Cl
InChIInChI=1S/C11H5BrCl3N3O/c12-9-6(13)2-1-3-7(9)16-11(19)5-4-8(14)17-18-10(5)15/h1-4H,(H,16,19)
InChIKeyKYRMBCQROJULLN-UHFFFAOYSA-N
XLogP4.45
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-dichloro-N-(3,6-dichloropyridazin-4-yl)pyridazine-4-carboxamide
CID 87380086
5-bromo-N-(2-bromo-3-chlorophenyl)-2-chlorobenzamide
CID 103479655
3,6-dichloro-N-(2,4-dichlorophenyl)pyridazine-4-carboxamide
CID 13456235
3,6-dichloro-N-(2-methylsulfanylphenyl)pyridazine-4-carboxamide
CID 103606441
2-amino-N-(2-bromo-3-chlorophenyl)-4,5-difluorobenzamide
CID 103477239
2-amino-N-(2-bromo-3-chlorophenyl)-5-fluorobenzamide
CID 103477110
N-(4-bromophenyl)-3,6-dichloropyridazine-4-carboxamide
CID 13456211
3,6-dichloro-N-(3-methylphenyl)pyridazine-4-carboxamide
CID 13456213
2-amino-N-(2-bromo-3-chlorophenyl)-4-fluorobenzamide
CID 103477086
5-amino-N-(2-bromo-3-chlorophenyl)-2-methylbenzamide
CID 103477113
3-amino-N-(2-bromo-3-chlorophenyl)-2,5-difluorobenzamide
CID 107121554
3,5-dibromo-N-(2-bromo-3-chlorophenyl)benzamide
CID 107972381

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-3,6-dichloropyridazine-4-carboxamide?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-3,6-dichloropyridazine-4-carboxamide (CID 114038582) is N-(2-bromo-3-chlorophenyl)-3,6-dichloropyridazine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-3,6-dichloropyridazine-4-carboxamide?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-3,6-dichloropyridazine-4-carboxamide is O=C(Nc1cccc(Cl)c1Br)c1cc(Cl)nnc1Cl.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-3,6-dichloropyridazine-4-carboxamide?
The InChIKey is KYRMBCQROJULLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrCl3N3O/c12-9-6(13)2-1-3-7(9)16-11(19)5-4-8(14)17-18-10(5)15/h1-4H,(H,16,19).
What are the key properties of N-(2-bromo-3-chlorophenyl)-3,6-dichloropyridazine-4-carboxamide?
N-(2-bromo-3-chlorophenyl)-3,6-dichloropyridazine-4-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)-3,6-dichloropyridazine-4-carboxamide is sourced from PubChem (CID 114038582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).