3-(7-bromo-1,2-benzoxazol-3-yl)-1H-pyridazin-6-one

C11H6BrN3O2 — CID 178166981

IUPAC3-(7-bromo-1,2-benzoxazol-3-yl)-1H-pyridazin-6-one
SMILESO=c1ccc(-c2noc3c(Br)cccc23)n[nH]1
InChIInChI=1S/C11H6BrN3O2/c12-7-3-1-2-6-10(15-17-11(6)7)8-4-5-9(16)14-13-8/h1-5H,(H,14,16)
InChIKeyAOUYLENUYKIWBT-UHFFFAOYSA-N
MW292.09 g/mol
LogP2.34
Rot. Bonds1

About 3-(7-bromo-1,2-benzoxazol-3-yl)-1H-pyridazin-6-one

3-(7-bromo-1,2-benzoxazol-3-yl)-1H-pyridazin-6-one (PubChem CID 178166981) has the molecular formula C11H6BrN3O2 and a molecular weight of 292.09 g/mol. Its IUPAC name is 3-(7-bromo-1,2-benzoxazol-3-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(7-bromo-1,2-benzoxazol-3-yl)-1H-pyridazin-6-one
PubChem CID178166981
Molecular FormulaC11H6BrN3O2
Molecular Weight292.09 g/mol
Exact Mass290.96
IUPAC Name3-(7-bromo-1,2-benzoxazol-3-yl)-1H-pyridazin-6-one
SMILESO=c1ccc(-c2noc3c(Br)cccc23)n[nH]1
InChIInChI=1S/C11H6BrN3O2/c12-7-3-1-2-6-10(15-17-11(6)7)8-4-5-9(16)14-13-8/h1-5H,(H,14,16)
InChIKeyAOUYLENUYKIWBT-UHFFFAOYSA-N
XLogP2.34
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.09
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(7-bromo-1,2-benzoxazol-3-yl)-N-methylpyridazin-4-amine
CID 178167058
1-(7-bromo-1,2-benzoxazol-3-yl)ethanol
CID 84703063
7-bromo-N-propan-2-yl-1,2-benzoxazol-3-amine
CID 84708451
7-bromo-3-(fluoromethyl)-1,2-benzoxazole
CID 84693211
7-bromo-3-(2-bromoethyl)-1,2-benzoxazole
CID 39097559
[1-[2-(7-bromo-1,2-benzoxazol-3-yl)phenyl]-2-pyridin-2-ylethyl]carbamic acid
CID 66848246
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one
CID 94069176
7-bromo-N-cyclopropyl-1,2-benzoxazol-3-amine
CID 84707795
7-bromo-3-pyrrolidin-3-yl-1,2-benzoxazole
CID 84711773
3-(4-bromo-2-chlorophenyl)-1H-pyridazin-6-one
CID 82779693
3-(2-bromoanilino)-1H-pyridazin-6-one
CID 54767794
7-bromo-3-phenyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one
CID 121223055

Frequently Asked Questions

What is the IUPAC name of 3-(7-bromo-1,2-benzoxazol-3-yl)-1H-pyridazin-6-one?
The IUPAC name of 3-(7-bromo-1,2-benzoxazol-3-yl)-1H-pyridazin-6-one (CID 178166981) is 3-(7-bromo-1,2-benzoxazol-3-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(7-bromo-1,2-benzoxazol-3-yl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(7-bromo-1,2-benzoxazol-3-yl)-1H-pyridazin-6-one is O=c1ccc(-c2noc3c(Br)cccc23)n[nH]1.
What is the InChIKey of 3-(7-bromo-1,2-benzoxazol-3-yl)-1H-pyridazin-6-one?
The InChIKey is AOUYLENUYKIWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrN3O2/c12-7-3-1-2-6-10(15-17-11(6)7)8-4-5-9(16)14-13-8/h1-5H,(H,14,16).
What are the key properties of 3-(7-bromo-1,2-benzoxazol-3-yl)-1H-pyridazin-6-one?
3-(7-bromo-1,2-benzoxazol-3-yl)-1H-pyridazin-6-one has a molecular weight of 292.09 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-bromo-1,2-benzoxazol-3-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 178166981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).