3-bromo-N-pyridazin-3-ylbenzamide

C11H8BrN3O — CID 115635713

IUPAC3-bromo-N-pyridazin-3-ylbenzamide
SMILESO=C(Nc1cccnn1)c1cccc(Br)c1
InChIInChI=1S/C11H8BrN3O/c12-9-4-1-3-8(7-9)11(16)14-10-5-2-6-13-15-10/h1-7H,(H,14,15,16)
InChIKeyHROPIFOSMLXEEG-UHFFFAOYSA-N
MW278.11 g/mol
LogP2.49
Rot. Bonds2

About 3-bromo-N-pyridazin-3-ylbenzamide

3-bromo-N-pyridazin-3-ylbenzamide (PubChem CID 115635713) has the molecular formula C11H8BrN3O and a molecular weight of 278.11 g/mol. Its IUPAC name is 3-bromo-N-pyridazin-3-ylbenzamide.

Molecular Properties

Compound Name3-bromo-N-pyridazin-3-ylbenzamide
PubChem CID115635713
Molecular FormulaC11H8BrN3O
Molecular Weight278.11 g/mol
Exact Mass276.99
IUPAC Name3-bromo-N-pyridazin-3-ylbenzamide
SMILESO=C(Nc1cccnn1)c1cccc(Br)c1
InChIInChI=1S/C11H8BrN3O/c12-9-4-1-3-8(7-9)11(16)14-10-5-2-6-13-15-10/h1-7H,(H,14,15,16)
InChIKeyHROPIFOSMLXEEG-UHFFFAOYSA-N
XLogP2.49
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-pyridazin-3-ylpyridine-3-carboxamide
CID 127108426
3-[(3-bromobenzoyl)amino]-N-pyridin-2-ylbenzamide
CID 3548444
3-bromo-N-[6-(tert-butylamino)pyridazin-3-yl]benzamide
CID 113044253
2-amino-4-bromo-N-pyridazin-3-ylbenzamide
CID 116786813
3,4,5-trifluoro-N-pyridazin-3-ylbenzamide
CID 113238408
4-amino-N-pyridazin-3-ylbenzamide
CID 116785969
3-bromo-N-pyridin-4-ylbenzamide
CID 4130300
4-hydroxy-3,5-dimethyl-N-pyridazin-3-ylbenzamide
CID 21109039
3-bromo-N-(2-methyltriazol-4-yl)benzamide
CID 112535280
3-bromo-N-[6-(butan-2-ylamino)pyridazin-3-yl]benzamide
CID 113038578
N-pyridazin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 116786865
3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 47423213

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-pyridazin-3-ylbenzamide?
The IUPAC name of 3-bromo-N-pyridazin-3-ylbenzamide (CID 115635713) is 3-bromo-N-pyridazin-3-ylbenzamide.
What is the SMILES notation for 3-bromo-N-pyridazin-3-ylbenzamide?
The canonical SMILES for 3-bromo-N-pyridazin-3-ylbenzamide is O=C(Nc1cccnn1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-pyridazin-3-ylbenzamide?
The InChIKey is HROPIFOSMLXEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O/c12-9-4-1-3-8(7-9)11(16)14-10-5-2-6-13-15-10/h1-7H,(H,14,15,16).
What are the key properties of 3-bromo-N-pyridazin-3-ylbenzamide?
3-bromo-N-pyridazin-3-ylbenzamide has a molecular weight of 278.11 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-pyridazin-3-ylbenzamide is sourced from PubChem (CID 115635713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).