2-bromo-N-(6-oxo-1H-pyridazin-5-yl)benzamide

C11H8BrN3O2 — CID 132590615

IUPAC2-bromo-N-(6-oxo-1H-pyridazin-5-yl)benzamide
SMILESO=C(Nc1ccn[nH]c1=O)c1ccccc1Br
InChIInChI=1S/C11H8BrN3O2/c12-8-4-2-1-3-7(8)10(16)14-9-5-6-13-15-11(9)17/h1-6H,(H,15,17)(H,13,14,16)
InChIKeyKPXNRUSARXBXHK-UHFFFAOYSA-N
MW294.11 g/mol
LogP1.78
Rot. Bonds2

About 2-bromo-N-(6-oxo-1H-pyridazin-5-yl)benzamide

2-bromo-N-(6-oxo-1H-pyridazin-5-yl)benzamide (PubChem CID 132590615) has the molecular formula C11H8BrN3O2 and a molecular weight of 294.11 g/mol. Its IUPAC name is 2-bromo-N-(6-oxo-1H-pyridazin-5-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(6-oxo-1H-pyridazin-5-yl)benzamide
PubChem CID132590615
Molecular FormulaC11H8BrN3O2
Molecular Weight294.11 g/mol
Exact Mass292.98
IUPAC Name2-bromo-N-(6-oxo-1H-pyridazin-5-yl)benzamide
SMILESO=C(Nc1ccn[nH]c1=O)c1ccccc1Br
InChIInChI=1S/C11H8BrN3O2/c12-8-4-2-1-3-7(8)10(16)14-9-5-6-13-15-11(9)17/h1-6H,(H,15,17)(H,13,14,16)
InChIKeyKPXNRUSARXBXHK-UHFFFAOYSA-N
XLogP1.78
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.11
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(5-bromo-2-oxo-1H-pyridin-3-yl)benzamide
CID 84559810
2-bromo-N-[2-oxo-2-(1H-pyrazol-5-ylamino)ethyl]benzamide
CID 61393410
methyl 4-[(2-bromobenzoyl)amino]-1H-pyrazole-5-carboxylate
CID 146090075
2-[(2-bromobenzoyl)amino]-N-(4-bromophenyl)benzamide
CID 55358520
2-bromo-N-(5-fluoro-2-methylphenyl)benzamide
CID 2683675
N-(2-bromophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 43111877
2-[(2-bromobenzoyl)amino]-N-(pyridin-2-ylmethyl)benzamide
CID 26549863
methyl 2-[(2-bromobenzoyl)amino]benzoate
CID 723592
2-bromo-N-(2-methoxyphenyl)benzamide
CID 676344
2-iodo-N-(1H-pyrazol-5-yl)benzamide
CID 61393108
3-[(2-bromobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64527441
2-[(2-bromobenzoyl)amino]-N-(3-methylbutan-2-yl)benzamide
CID 78791630

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(6-oxo-1H-pyridazin-5-yl)benzamide?
The IUPAC name of 2-bromo-N-(6-oxo-1H-pyridazin-5-yl)benzamide (CID 132590615) is 2-bromo-N-(6-oxo-1H-pyridazin-5-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(6-oxo-1H-pyridazin-5-yl)benzamide?
The canonical SMILES for 2-bromo-N-(6-oxo-1H-pyridazin-5-yl)benzamide is O=C(Nc1ccn[nH]c1=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(6-oxo-1H-pyridazin-5-yl)benzamide?
The InChIKey is KPXNRUSARXBXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O2/c12-8-4-2-1-3-7(8)10(16)14-9-5-6-13-15-11(9)17/h1-6H,(H,15,17)(H,13,14,16).
What are the key properties of 2-bromo-N-(6-oxo-1H-pyridazin-5-yl)benzamide?
2-bromo-N-(6-oxo-1H-pyridazin-5-yl)benzamide has a molecular weight of 294.11 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(6-oxo-1H-pyridazin-5-yl)benzamide is sourced from PubChem (CID 132590615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).