N-(4-bromo-2-fluorophenyl)pyridazine-4-carboxamide

C11H7BrFN3O — CID 112702158

IUPACN-(4-bromo-2-fluorophenyl)pyridazine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1ccnnc1
InChIInChI=1S/C11H7BrFN3O/c12-8-1-2-10(9(13)5-8)16-11(17)7-3-4-14-15-6-7/h1-6H,(H,16,17)
InChIKeyBVTFOIXEKAGQSV-UHFFFAOYSA-N
MW296.10 g/mol
LogP2.63
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)pyridazine-4-carboxamide

N-(4-bromo-2-fluorophenyl)pyridazine-4-carboxamide (PubChem CID 112702158) has the molecular formula C11H7BrFN3O and a molecular weight of 296.10 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)pyridazine-4-carboxamide
PubChem CID112702158
Molecular FormulaC11H7BrFN3O
Molecular Weight296.10 g/mol
Exact Mass294.98
IUPAC NameN-(4-bromo-2-fluorophenyl)pyridazine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1ccnnc1
InChIInChI=1S/C11H7BrFN3O/c12-8-1-2-10(9(13)5-8)16-11(17)7-3-4-14-15-6-7/h1-6H,(H,16,17)
InChIKeyBVTFOIXEKAGQSV-UHFFFAOYSA-N
XLogP2.63
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.10
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-(pyridazine-4-carbonylamino)benzoic acid
CID 112555172
2-amino-N-(4-bromo-2-fluorophenyl)pyridine-4-carboxamide
CID 62151121
N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43532914
N-(4-bromo-2-fluorophenyl)-6-methoxypyridine-3-carboxamide
CID 134017875
N-[(5-bromo-2-fluorophenyl)methyl]pyridazine-4-carboxamide
CID 113264962
N-(5-bromo-2-fluorophenyl)pyridine-4-carboxamide
CID 110779492
N-(4-bromo-2-fluorophenyl)-5-iodothiophene-3-carboxamide
CID 78949454
N-(4-bromo-2-fluorophenyl)-3,5-dinitrobenzamide
CID 4159361
N-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997721
N-(4-bromo-2-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 49156312
N-(4-bromo-2-fluorophenyl)-1H-indazole-6-carboxamide
CID 60716242
N-(4-bromo-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 50772677

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)pyridazine-4-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)pyridazine-4-carboxamide (CID 112702158) is N-(4-bromo-2-fluorophenyl)pyridazine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)pyridazine-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)pyridazine-4-carboxamide is O=C(Nc1ccc(Br)cc1F)c1ccnnc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)pyridazine-4-carboxamide?
The InChIKey is BVTFOIXEKAGQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFN3O/c12-8-1-2-10(9(13)5-8)16-11(17)7-3-4-14-15-6-7/h1-6H,(H,16,17).
What are the key properties of N-(4-bromo-2-fluorophenyl)pyridazine-4-carboxamide?
N-(4-bromo-2-fluorophenyl)pyridazine-4-carboxamide has a molecular weight of 296.10 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)pyridazine-4-carboxamide is sourced from PubChem (CID 112702158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).