N-(4-bromo-3-fluorophenyl)-3,6-dichloropyridazine-4-carboxamide

C11H5BrCl2FN3O — CID 114038522

IUPACN-(4-bromo-3-fluorophenyl)-3,6-dichloropyridazine-4-carboxamide
SMILESO=C(Nc1ccc(Br)c(F)c1)c1cc(Cl)nnc1Cl
InChIInChI=1S/C11H5BrCl2FN3O/c12-7-2-1-5(3-8(7)15)16-11(19)6-4-9(13)17-18-10(6)14/h1-4H,(H,16,19)
InChIKeyBWRQRLQFORCALZ-UHFFFAOYSA-N
MW364.99 g/mol
LogP3.94
Rot. Bonds2

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

N-(4-bromo-3-fluorophenyl)-3,6-dichloropyridazine-4-carboxamide (PubChem CID 114038522) has the molecular formula C11H5BrCl2FN3O and a molecular weight of 364.99 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-3,6-dichloropyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-3,6-dichloropyridazine-4-carboxamide
PubChem CID114038522
Molecular FormulaC11H5BrCl2FN3O
Molecular Weight364.99 g/mol
Exact Mass362.90
IUPAC NameN-(4-bromo-3-fluorophenyl)-3,6-dichloropyridazine-4-carboxamide
SMILESO=C(Nc1ccc(Br)c(F)c1)c1cc(Cl)nnc1Cl
InChIInChI=1S/C11H5BrCl2FN3O/c12-7-2-1-5(3-8(7)15)16-11(19)6-4-9(13)17-18-10(6)14/h1-4H,(H,16,19)
InChIKeyBWRQRLQFORCALZ-UHFFFAOYSA-N
XLogP3.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.99
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-3,6-dichloropyridazine-4-carboxamide
CID 13456211
3,6-dichloro-N-(3-methylphenyl)pyridazine-4-carboxamide
CID 13456213
3-bromo-N-(4-bromo-3-fluorophenyl)-2-chlorobenzamide
CID 113402951
N-(4-bromo-3-fluorophenyl)-3-chloro-2-fluorobenzamide
CID 81002084
N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
CID 65436517
N-(4-bromo-3-fluorophenyl)-6-chloropyridine-3-carboxamide
CID 65435923
5-bromo-N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
CID 65438137
2-amino-N-(4-bromo-3-fluorophenyl)-5-hydroxybenzamide
CID 107075499
2-amino-5-bromo-N-(4-bromo-3-fluorophenyl)pyridine-3-carboxamide
CID 65437608
N-(4-bromo-3-fluorophenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 65435257
3,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-4-carboxamide
CID 103609811
N-(4-bromo-3-fluorophenyl)-4-(methylamino)pyridine-3-carboxamide
CID 81245752

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-3,6-dichloropyridazine-4-carboxamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-3,6-dichloropyridazine-4-carboxamide (CID 114038522) is N-(4-bromo-3-fluorophenyl)-3,6-dichloropyridazine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-3,6-dichloropyridazine-4-carboxamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-3,6-dichloropyridazine-4-carboxamide is O=C(Nc1ccc(Br)c(F)c1)c1cc(Cl)nnc1Cl.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-3,6-dichloropyridazine-4-carboxamide?
The InChIKey is BWRQRLQFORCALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrCl2FN3O/c12-7-2-1-5(3-8(7)15)16-11(19)6-4-9(13)17-18-10(6)14/h1-4H,(H,16,19).
What are the key properties of N-(4-bromo-3-fluorophenyl)-3,6-dichloropyridazine-4-carboxamide?
N-(4-bromo-3-fluorophenyl)-3,6-dichloropyridazine-4-carboxamide has a molecular weight of 364.99 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-3,6-dichloropyridazine-4-carboxamide is sourced from PubChem (CID 114038522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).