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

C7H5BrN2O — CID 23155326

IUPAC4-bromo-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cccc(Br)c12
InChIInChI=1S/C7H5BrN2O/c8-4-2-1-3-5-6(4)7(11)10-9-5/h1-3H,(H2,9,10,11)
InChIKeyAOSWBTIWUXRHRT-UHFFFAOYSA-N
MW213.03 g/mol
LogP1.62
Rot. Bonds

About 4-bromo-1,2-dihydroindazol-3-one

4-bromo-1,2-dihydroindazol-3-one (PubChem CID 23155326) has the molecular formula C7H5BrN2O and a molecular weight of 213.03 g/mol. Its IUPAC name is 4-bromo-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name4-bromo-1,2-dihydroindazol-3-one
PubChem CID23155326
Molecular FormulaC7H5BrN2O
Molecular Weight213.03 g/mol
Exact Mass211.96
IUPAC Name4-bromo-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cccc(Br)c12
InChIInChI=1S/C7H5BrN2O/c8-4-2-1-3-5-6(4)7(11)10-9-5/h1-3H,(H2,9,10,11)
InChIKeyAOSWBTIWUXRHRT-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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Related Compounds

Indazolinone
CID 81829
6-fluoro-1H-indazol-3-ol
CID 24728218
5-Bromo-1,2-dihydro-3H-indazol-3-one
CID 21609265
6-Bromo-1,2-dihydro-3H-indazol-3-one
CID 24728213
4-fluoro-1H-indazol-3-ol
CID 2810172
5-fluoro-1H-indazol-3-ol
CID 24728240
4,6-difluoro-1H-indazol-3-ol
CID 24728424
6-Bromo-1-methyl-1H-indazol-3(2H)-one
CID 58042216
2-Amino-6-bromobenzamide
CID 67055862
6-bromo-4-fluoro-1H-indazol-3-ol
CID 24728450
7-Bromo-4-fluoro-1,2-dihydroindazol-3-one
CID 70650628
6-Bromo-5-fluoro-1,2-dihydroindazol-3-one
CID 122617178

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,2-dihydroindazol-3-one?
The IUPAC name of 4-bromo-1,2-dihydroindazol-3-one (CID 23155326) is 4-bromo-1,2-dihydroindazol-3-one.
What is the SMILES notation for 4-bromo-1,2-dihydroindazol-3-one?
The canonical SMILES for 4-bromo-1,2-dihydroindazol-3-one is O=c1[nH][nH]c2cccc(Br)c12.
What is the InChIKey of 4-bromo-1,2-dihydroindazol-3-one?
The InChIKey is AOSWBTIWUXRHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2O/c8-4-2-1-3-5-6(4)7(11)10-9-5/h1-3H,(H2,9,10,11).
What are the key properties of 4-bromo-1,2-dihydroindazol-3-one?
4-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 4-bromo-1,2-dihydroindazol-3-one is sourced from PubChem (CID 23155326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).