5-(5-bromo-2-pyridinyl)-1H-pyridazin-6-one

C9H6BrN3O — CID 177252570

IUPAC5-(5-bromo-2-pyridinyl)-1H-pyridazin-6-one
SMILESO=c1[nH]nccc1-c1ccc(Br)cn1
InChIInChI=1S/C9H6BrN3O/c10-6-1-2-8(11-5-6)7-3-4-12-13-9(7)14/h1-5H,(H,13,14)
InChIKeyQADMUHKKOHCHSK-UHFFFAOYSA-N
MW252.07 g/mol
LogP1.59
Rot. Bonds1

About 5-(5-bromo-2-pyridinyl)-1H-pyridazin-6-one

5-(5-bromo-2-pyridinyl)-1H-pyridazin-6-one (PubChem CID 177252570) has the molecular formula C9H6BrN3O and a molecular weight of 252.07 g/mol. Its IUPAC name is 5-(5-bromo-2-pyridinyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(5-bromo-2-pyridinyl)-1H-pyridazin-6-one
PubChem CID177252570
Molecular FormulaC9H6BrN3O
Molecular Weight252.07 g/mol
Exact Mass250.97
IUPAC Name5-(5-bromo-2-pyridinyl)-1H-pyridazin-6-one
SMILESO=c1[nH]nccc1-c1ccc(Br)cn1
InChIInChI=1S/C9H6BrN3O/c10-6-1-2-8(11-5-6)7-3-4-12-13-9(7)14/h1-5H,(H,13,14)
InChIKeyQADMUHKKOHCHSK-UHFFFAOYSA-N
XLogP1.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.07
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-pyridinyl)-1H-pyridazin-6-one?
The IUPAC name of 5-(5-bromo-2-pyridinyl)-1H-pyridazin-6-one (CID 177252570) is 5-(5-bromo-2-pyridinyl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-(5-bromo-2-pyridinyl)-1H-pyridazin-6-one?
The canonical SMILES for 5-(5-bromo-2-pyridinyl)-1H-pyridazin-6-one is O=c1[nH]nccc1-c1ccc(Br)cn1.
What is the InChIKey of 5-(5-bromo-2-pyridinyl)-1H-pyridazin-6-one?
The InChIKey is QADMUHKKOHCHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3O/c10-6-1-2-8(11-5-6)7-3-4-12-13-9(7)14/h1-5H,(H,13,14).
What are the key properties of 5-(5-bromo-2-pyridinyl)-1H-pyridazin-6-one?
5-(5-bromo-2-pyridinyl)-1H-pyridazin-6-one has a molecular weight of 252.07 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-pyridinyl)-1H-pyridazin-6-one is sourced from PubChem (CID 177252570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).