N-(2-bromo-4-fluorophenyl)-3,6-dimethylpyridazine-4-carboxamide

C13H11BrFN3O — CID 112548434

IUPACN-(2-bromo-4-fluorophenyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)cc2Br)c(C)nn1
InChIInChI=1S/C13H11BrFN3O/c1-7-5-10(8(2)18-17-7)13(19)16-12-4-3-9(15)6-11(12)14/h3-6H,1-2H3,(H,16,19)
InChIKeyIPALBIFNGQMBII-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.25
Rot. Bonds2

About N-(2-bromo-4-fluorophenyl)-3,6-dimethylpyridazine-4-carboxamide

N-(2-bromo-4-fluorophenyl)-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 112548434) has the molecular formula C13H11BrFN3O and a molecular weight of 324.15 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-3,6-dimethylpyridazine-4-carboxamide
PubChem CID112548434
Molecular FormulaC13H11BrFN3O
Molecular Weight324.15 g/mol
Exact Mass323.01
IUPAC NameN-(2-bromo-4-fluorophenyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)cc2Br)c(C)nn1
InChIInChI=1S/C13H11BrFN3O/c1-7-5-10(8(2)18-17-7)13(19)16-12-4-3-9(15)6-11(12)14/h3-6H,1-2H3,(H,16,19)
InChIKeyIPALBIFNGQMBII-UHFFFAOYSA-N
XLogP3.25
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 112702520
N-(3-bromo-4-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 113344575
N-(2-bromo-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide
CID 62509154
N-(2-bromo-3-methylphenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104670586
N-(2-bromo-4-fluorophenyl)-4-hydroxy-2-methylbenzamide
CID 107671523
N-(6-bromo-3-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
CID 103881040
2-bromo-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 9192994
N-(2-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 28938704
N-(2-bromo-4-fluorophenyl)-4-fluorobenzamide
CID 28938573
N-(4-chloro-2-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 103881032
2-amino-N-(2-bromo-4-methylphenyl)-5-fluorobenzamide
CID 43245616
(2-bromo-4-fluorophenyl)urea
CID 28939155

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-3,6-dimethylpyridazine-4-carboxamide (CID 112548434) is N-(2-bromo-4-fluorophenyl)-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-3,6-dimethylpyridazine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(F)cc2Br)c(C)nn1.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is IPALBIFNGQMBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN3O/c1-7-5-10(8(2)18-17-7)13(19)16-12-4-3-9(15)6-11(12)14/h3-6H,1-2H3,(H,16,19).
What are the key properties of N-(2-bromo-4-fluorophenyl)-3,6-dimethylpyridazine-4-carboxamide?
N-(2-bromo-4-fluorophenyl)-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 324.15 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 112548434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).