6-bromo-1,2-dihydroindazol-3-one

C7H5BrN2O — CID 24728213

IUPAC6-bromo-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(Br)ccc12
InChIInChI=1S/C7H5BrN2O/c8-4-1-2-5-6(3-4)9-10-7(5)11/h1-3H,(H2,9,10,11)
InChIKeyJUWHHOSUZDEEQQ-UHFFFAOYSA-N
MW213.03 g/mol
LogP1.62
Rot. Bonds

About 6-bromo-1,2-dihydroindazol-3-one

6-bromo-1,2-dihydroindazol-3-one (PubChem CID 24728213) has the molecular formula C7H5BrN2O and a molecular weight of 213.03 g/mol. Its IUPAC name is 6-bromo-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-bromo-1,2-dihydroindazol-3-one
PubChem CID24728213
Molecular FormulaC7H5BrN2O
Molecular Weight213.03 g/mol
Exact Mass211.96
IUPAC Name6-bromo-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(Br)ccc12
InChIInChI=1S/C7H5BrN2O/c8-4-1-2-5-6(3-4)9-10-7(5)11/h1-3H,(H2,9,10,11)
InChIKeyJUWHHOSUZDEEQQ-UHFFFAOYSA-N
XLogP1.62
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.03
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,2-dihydroindazol-3-one?
The IUPAC name of 6-bromo-1,2-dihydroindazol-3-one (CID 24728213) is 6-bromo-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-bromo-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-bromo-1,2-dihydroindazol-3-one is O=c1[nH][nH]c2cc(Br)ccc12.
What is the InChIKey of 6-bromo-1,2-dihydroindazol-3-one?
The InChIKey is JUWHHOSUZDEEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2O/c8-4-1-2-5-6(3-4)9-10-7(5)11/h1-3H,(H2,9,10,11).
What are the key properties of 6-bromo-1,2-dihydroindazol-3-one?
6-bromo-1,2-dihydroindazol-3-one has a molecular weight of 213.03 g/mol, XLogP of 1.62, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,2-dihydroindazol-3-one is sourced from PubChem (CID 24728213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).