4-bromo-5-hydroxy-2-propan-2-ylpyridazin-3-one

C7H9BrN2O2 — CID 54706942

IUPAC4-bromo-5-hydroxy-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1ncc(O)c(Br)c1=O
InChIInChI=1S/C7H9BrN2O2/c1-4(2)10-7(12)6(8)5(11)3-9-10/h3-4,11H,1-2H3
InChIKeyXGPFZYCIXGGRSW-UHFFFAOYSA-N
MW233.06 g/mol
LogP1.29
Rot. Bonds1

About 4-bromo-5-hydroxy-2-propan-2-ylpyridazin-3-one

4-bromo-5-hydroxy-2-propan-2-ylpyridazin-3-one (PubChem CID 54706942) has the molecular formula C7H9BrN2O2 and a molecular weight of 233.06 g/mol. Its IUPAC name is 4-bromo-5-hydroxy-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-hydroxy-2-propan-2-ylpyridazin-3-one
PubChem CID54706942
Molecular FormulaC7H9BrN2O2
Molecular Weight233.06 g/mol
Exact Mass231.98
IUPAC Name4-bromo-5-hydroxy-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1ncc(O)c(Br)c1=O
InChIInChI=1S/C7H9BrN2O2/c1-4(2)10-7(12)6(8)5(11)3-9-10/h3-4,11H,1-2H3
InChIKeyXGPFZYCIXGGRSW-UHFFFAOYSA-N
XLogP1.29
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.06
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Bromo-5-hydroxy-2-methylpyridazin-3(2H)-one
CID 54715447
5-Bromo-1-butyl-6-hydroxypyridazin-6-one
CID 54713067
4-Bromo-5-hydroxy-2-propylpyridazin-3(2H)-one
CID 54714550
5-Bromo-1-ethyl-4-hydroxypyridazin-6-one
CID 54715446
1-Allyl-5-bromo-6-hydroxypyridazin-6-one
CID 54715448
4-Bromo-2-ethyl-5-methoxypyridazin-3(2H)-one
CID 10489782
2-i-propyl-4,5-dibromo-3(2H)pyridazinone
CID 10827742
4-Bromo-2-(2-hydroxyethyl)-5-methoxypyridazin-3(2H)-one
CID 11615745
4-bromo-2-t-butyl-5-hydroxy-3(2H)-pyridazinone
CID 54718038
5-Hydroxy-2-propan-2-ylpyridazin-3-one
CID 129450951
4-Bromo-2-isopropyl-5-methoxypyridazin-3(2H)-one
CID 10776857
4-Bromo-5-methoxy-2-propyl-3(2H)-pyridazinone
CID 10824364

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-hydroxy-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 4-bromo-5-hydroxy-2-propan-2-ylpyridazin-3-one (CID 54706942) is 4-bromo-5-hydroxy-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-hydroxy-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-hydroxy-2-propan-2-ylpyridazin-3-one is CC(C)n1ncc(O)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-hydroxy-2-propan-2-ylpyridazin-3-one?
The InChIKey is XGPFZYCIXGGRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O2/c1-4(2)10-7(12)6(8)5(11)3-9-10/h3-4,11H,1-2H3.
What are the key properties of 4-bromo-5-hydroxy-2-propan-2-ylpyridazin-3-one?
4-bromo-5-hydroxy-2-propan-2-ylpyridazin-3-one has a molecular weight of 233.06 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-hydroxy-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 54706942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).