5-bromo-3-(2-methoxyphenyl)-1H-pyridazin-6-one

C11H9BrN2O2 — CID 117107083

IUPAC5-bromo-3-(2-methoxyphenyl)-1H-pyridazin-6-one
SMILESCOc1ccccc1-c1cc(Br)c(=O)[nH]n1
InChIInChI=1S/C11H9BrN2O2/c1-16-10-5-3-2-4-7(10)9-6-8(12)11(15)14-13-9/h2-6H,1H3,(H,14,15)
InChIKeyVFKGEKZRULOXPW-UHFFFAOYSA-N
MW281.11 g/mol
LogP2.21
Rot. Bonds2

About 5-bromo-3-(2-methoxyphenyl)-1H-pyridazin-6-one

5-bromo-3-(2-methoxyphenyl)-1H-pyridazin-6-one (PubChem CID 117107083) has the molecular formula C11H9BrN2O2 and a molecular weight of 281.11 g/mol. Its IUPAC name is 5-bromo-3-(2-methoxyphenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-bromo-3-(2-methoxyphenyl)-1H-pyridazin-6-one
PubChem CID117107083
Molecular FormulaC11H9BrN2O2
Molecular Weight281.11 g/mol
Exact Mass279.98
IUPAC Name5-bromo-3-(2-methoxyphenyl)-1H-pyridazin-6-one
SMILESCOc1ccccc1-c1cc(Br)c(=O)[nH]n1
InChIInChI=1S/C11H9BrN2O2/c1-16-10-5-3-2-4-7(10)9-6-8(12)11(15)14-13-9/h2-6H,1H3,(H,14,15)
InChIKeyVFKGEKZRULOXPW-UHFFFAOYSA-N
XLogP2.21
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-aminopropan-2-yl)-3-(2-methoxyphenyl)-1H-pyridazin-6-one
CID 82445812
N-hydroxy-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71601258
3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 156565673
4-bromo-3-methoxy-6-(2-methoxyphenyl)pyridazine
CID 117107100
2-[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]phenol
CID 136622086
4-bromo-3-chloro-6-(2-methoxyphenyl)pyridazine
CID 117107085
ethyl 3-(2-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 57356240
4-(5-bromo-2-methoxy-4-methylphenyl)-2H-phthalazin-1-one
CID 65432773
5-bromo-4-(2-methoxyphenyl)-1H-pyrazole
CID 84707753
N-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 110000867
3-(4-bromo-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117478380
4-bromo-5-(2-methoxyphenyl)-N,N-dimethyl-1H-pyrazol-3-amine
CID 116826092

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-methoxyphenyl)-1H-pyridazin-6-one?
The IUPAC name of 5-bromo-3-(2-methoxyphenyl)-1H-pyridazin-6-one (CID 117107083) is 5-bromo-3-(2-methoxyphenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-bromo-3-(2-methoxyphenyl)-1H-pyridazin-6-one?
The canonical SMILES for 5-bromo-3-(2-methoxyphenyl)-1H-pyridazin-6-one is COc1ccccc1-c1cc(Br)c(=O)[nH]n1.
What is the InChIKey of 5-bromo-3-(2-methoxyphenyl)-1H-pyridazin-6-one?
The InChIKey is VFKGEKZRULOXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2/c1-16-10-5-3-2-4-7(10)9-6-8(12)11(15)14-13-9/h2-6H,1H3,(H,14,15).
What are the key properties of 5-bromo-3-(2-methoxyphenyl)-1H-pyridazin-6-one?
5-bromo-3-(2-methoxyphenyl)-1H-pyridazin-6-one has a molecular weight of 281.11 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-methoxyphenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 117107083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).