N-(4-bromophenyl)-3,6-dichloropyridazine-4-carboxamide

C11H6BrCl2N3O — CID 13456211

IUPACN-(4-bromophenyl)-3,6-dichloropyridazine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc(Cl)nnc1Cl
InChIInChI=1S/C11H6BrCl2N3O/c12-6-1-3-7(4-2-6)15-11(18)8-5-9(13)16-17-10(8)14/h1-5H,(H,15,18)
InChIKeyFYTHVDWNLJSHOX-UHFFFAOYSA-N
MW347.00 g/mol
LogP3.80
Rot. Bonds2

About N-(4-bromophenyl)-3,6-dichloropyridazine-4-carboxamide

N-(4-bromophenyl)-3,6-dichloropyridazine-4-carboxamide (PubChem CID 13456211) has the molecular formula C11H6BrCl2N3O and a molecular weight of 347.00 g/mol. Its IUPAC name is N-(4-bromophenyl)-3,6-dichloropyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3,6-dichloropyridazine-4-carboxamide
PubChem CID13456211
Molecular FormulaC11H6BrCl2N3O
Molecular Weight347.00 g/mol
Exact Mass344.91
IUPAC NameN-(4-bromophenyl)-3,6-dichloropyridazine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc(Cl)nnc1Cl
InChIInChI=1S/C11H6BrCl2N3O/c12-6-1-3-7(4-2-6)15-11(18)8-5-9(13)16-17-10(8)14/h1-5H,(H,15,18)
InChIKeyFYTHVDWNLJSHOX-UHFFFAOYSA-N
XLogP3.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.00
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-fluorophenyl)-3,6-dichloropyridazine-4-carboxamide
CID 114038522
3,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridazine-4-carboxamide
CID 61221964
3,6-dichloro-N-(3-methylphenyl)pyridazine-4-carboxamide
CID 13456213
3,6-dichloro-N-(4-ethoxyphenyl)pyridazine-4-carboxamide
CID 13456224
3,6-dichloro-N-(3,5-dichloro-4-hydroxyphenyl)pyridazine-4-carboxamide
CID 136812221
3,6-dichloro-N-(3,6-dichloropyridazin-4-yl)pyridazine-4-carboxamide
CID 87380086
N-(4-bromophenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 87757285
3,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-4-carboxamide
CID 103609811
N-(2-bromo-3-chlorophenyl)-3,6-dichloropyridazine-4-carboxamide
CID 114038582
N-(4-bromophenyl)-2-chloropyridine-3-carboxamide
CID 4604195
3,6-dichloro-N-(3-methoxyphenyl)pyridazine-4-carboxamide
CID 6405267
3,6-dichloro-N-(2,4-dichlorophenyl)pyridazine-4-carboxamide
CID 13456235

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3,6-dichloropyridazine-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-3,6-dichloropyridazine-4-carboxamide (CID 13456211) is N-(4-bromophenyl)-3,6-dichloropyridazine-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-3,6-dichloropyridazine-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-3,6-dichloropyridazine-4-carboxamide is O=C(Nc1ccc(Br)cc1)c1cc(Cl)nnc1Cl.
What is the InChIKey of N-(4-bromophenyl)-3,6-dichloropyridazine-4-carboxamide?
The InChIKey is FYTHVDWNLJSHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl2N3O/c12-6-1-3-7(4-2-6)15-11(18)8-5-9(13)16-17-10(8)14/h1-5H,(H,15,18).
What are the key properties of N-(4-bromophenyl)-3,6-dichloropyridazine-4-carboxamide?
N-(4-bromophenyl)-3,6-dichloropyridazine-4-carboxamide has a molecular weight of 347.00 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3,6-dichloropyridazine-4-carboxamide is sourced from PubChem (CID 13456211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).