5-bromo-2-(2-methoxyphenyl)pyridazin-3-one

C11H9BrN2O2 — CID 134828443

IUPAC5-bromo-2-(2-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccccc1-n1ncc(Br)cc1=O
InChIInChI=1S/C11H9BrN2O2/c1-16-10-5-3-2-4-9(10)14-11(15)6-8(12)7-13-14/h2-7H,1H3
InChIKeyKFOGTJNRBJIRRA-UHFFFAOYSA-N
MW281.11 g/mol
LogP2.00
Rot. Bonds2

About 5-bromo-2-(2-methoxyphenyl)pyridazin-3-one

5-bromo-2-(2-methoxyphenyl)pyridazin-3-one (PubChem CID 134828443) has the molecular formula C11H9BrN2O2 and a molecular weight of 281.11 g/mol. Its IUPAC name is 5-bromo-2-(2-methoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name5-bromo-2-(2-methoxyphenyl)pyridazin-3-one
PubChem CID134828443
Molecular FormulaC11H9BrN2O2
Molecular Weight281.11 g/mol
Exact Mass279.98
IUPAC Name5-bromo-2-(2-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccccc1-n1ncc(Br)cc1=O
InChIInChI=1S/C11H9BrN2O2/c1-16-10-5-3-2-4-9(10)14-11(15)6-8(12)7-13-14/h2-7H,1H3
InChIKeyKFOGTJNRBJIRRA-UHFFFAOYSA-N
XLogP2.00
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methoxyphenyl)pyridazin-3-one?
The IUPAC name of 5-bromo-2-(2-methoxyphenyl)pyridazin-3-one (CID 134828443) is 5-bromo-2-(2-methoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 5-bromo-2-(2-methoxyphenyl)pyridazin-3-one?
The canonical SMILES for 5-bromo-2-(2-methoxyphenyl)pyridazin-3-one is COc1ccccc1-n1ncc(Br)cc1=O.
What is the InChIKey of 5-bromo-2-(2-methoxyphenyl)pyridazin-3-one?
The InChIKey is KFOGTJNRBJIRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2/c1-16-10-5-3-2-4-9(10)14-11(15)6-8(12)7-13-14/h2-7H,1H3.
What are the key properties of 5-bromo-2-(2-methoxyphenyl)pyridazin-3-one?
5-bromo-2-(2-methoxyphenyl)pyridazin-3-one has a molecular weight of 281.11 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 134828443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).