2-bromo-4-fluoro-N-pyridazin-3-ylbenzamide

C11H7BrFN3O — CID 115635735

IUPAC2-bromo-4-fluoro-N-pyridazin-3-ylbenzamide
SMILESO=C(Nc1cccnn1)c1ccc(F)cc1Br
InChIInChI=1S/C11H7BrFN3O/c12-9-6-7(13)3-4-8(9)11(17)15-10-2-1-5-14-16-10/h1-6H,(H,15,16,17)
InChIKeyPPAFYDXIIGSPIT-UHFFFAOYSA-N
MW296.10 g/mol
LogP2.63
Rot. Bonds2

About 2-bromo-4-fluoro-N-pyridazin-3-ylbenzamide

2-bromo-4-fluoro-N-pyridazin-3-ylbenzamide (PubChem CID 115635735) has the molecular formula C11H7BrFN3O and a molecular weight of 296.10 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-pyridazin-3-ylbenzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-pyridazin-3-ylbenzamide
PubChem CID115635735
Molecular FormulaC11H7BrFN3O
Molecular Weight296.10 g/mol
Exact Mass294.98
IUPAC Name2-bromo-4-fluoro-N-pyridazin-3-ylbenzamide
SMILESO=C(Nc1cccnn1)c1ccc(F)cc1Br
InChIInChI=1S/C11H7BrFN3O/c12-9-6-7(13)3-4-8(9)11(17)15-10-2-1-5-14-16-10/h1-6H,(H,15,16,17)
InChIKeyPPAFYDXIIGSPIT-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

2-bromo-4-chloro-N-pyridazin-3-ylbenzamide
CID 103765308
2-amino-5-fluoro-N-pyridazin-3-ylbenzamide
CID 116786004
2-amino-4-bromo-N-pyridazin-3-ylbenzamide
CID 116786813
2-bromo-4-fluoro-N-phenylbenzamide
CID 17461201
2-bromo-N-(3-chloro-2-pyridinyl)-4-fluorobenzamide
CID 103893012
2-bromo-4-fluoro-N-(thiatriazol-5-yl)benzamide
CID 114912800
5-fluoro-2-(methylamino)-N-pyridazin-3-ylpyridine-3-carboxamide
CID 114035120
2-amino-5-fluoro-3-nitro-N-pyridazin-3-ylbenzamide
CID 107123407
3,4,5-trifluoro-N-pyridazin-3-ylbenzamide
CID 113238408
5-bromo-2-chloro-N-pyridazin-3-ylpyridine-3-carboxamide
CID 115635717
2-bromo-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 24710516
3-bromo-N-pyridazin-3-ylbenzamide
CID 115635713

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-pyridazin-3-ylbenzamide?
The IUPAC name of 2-bromo-4-fluoro-N-pyridazin-3-ylbenzamide (CID 115635735) is 2-bromo-4-fluoro-N-pyridazin-3-ylbenzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-pyridazin-3-ylbenzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-pyridazin-3-ylbenzamide is O=C(Nc1cccnn1)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-pyridazin-3-ylbenzamide?
The InChIKey is PPAFYDXIIGSPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFN3O/c12-9-6-7(13)3-4-8(9)11(17)15-10-2-1-5-14-16-10/h1-6H,(H,15,16,17).
What are the key properties of 2-bromo-4-fluoro-N-pyridazin-3-ylbenzamide?
2-bromo-4-fluoro-N-pyridazin-3-ylbenzamide 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 2-bromo-4-fluoro-N-pyridazin-3-ylbenzamide is sourced from PubChem (CID 115635735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).