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

C7H4BrFN2O — CID 24728450

IUPAC6-bromo-4-fluoro-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(Br)cc(F)c12
InChIInChI=1S/C7H4BrFN2O/c8-3-1-4(9)6-5(2-3)10-11-7(6)12/h1-2H,(H2,10,11,12)
InChIKeyYFEQEVZZMXXXTC-UHFFFAOYSA-N
MW231.02 g/mol
LogP1.76
Rot. Bonds

About 6-bromo-4-fluoro-1,2-dihydroindazol-3-one

6-bromo-4-fluoro-1,2-dihydroindazol-3-one (PubChem CID 24728450) has the molecular formula C7H4BrFN2O and a molecular weight of 231.02 g/mol. Its IUPAC name is 6-bromo-4-fluoro-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-bromo-4-fluoro-1,2-dihydroindazol-3-one
PubChem CID24728450
Molecular FormulaC7H4BrFN2O
Molecular Weight231.02 g/mol
Exact Mass229.95
IUPAC Name6-bromo-4-fluoro-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(Br)cc(F)c12
InChIInChI=1S/C7H4BrFN2O/c8-3-1-4(9)6-5(2-3)10-11-7(6)12/h1-2H,(H2,10,11,12)
InChIKeyYFEQEVZZMXXXTC-UHFFFAOYSA-N
XLogP1.76
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.02
LogP ≤ 51.76
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-bromo-2,3-dihydro-1H-indazol-3-one
CID 23155326
4-fluoro-1H-indazol-3-ol
CID 2810172
5-fluoro-1H-indazol-3-ol
CID 24728240
2-Amino-4-bromobenzamide
CID 13805507
4,6-difluoro-1H-indazol-3-ol
CID 24728424
6-Bromo-1-methyl-1H-indazol-3(2H)-one
CID 58042216
7-bromo-5-fluoro-3H-1,2,3-benzotriazin-4-one
CID 177851142
1-[(4-bromo-2-fluorophenyl)methyl]-2H-indazol-3-one
CID 15084548

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-fluoro-1,2-dihydroindazol-3-one?
The IUPAC name of 6-bromo-4-fluoro-1,2-dihydroindazol-3-one (CID 24728450) is 6-bromo-4-fluoro-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-bromo-4-fluoro-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-bromo-4-fluoro-1,2-dihydroindazol-3-one is O=c1[nH][nH]c2cc(Br)cc(F)c12.
What is the InChIKey of 6-bromo-4-fluoro-1,2-dihydroindazol-3-one?
The InChIKey is YFEQEVZZMXXXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrFN2O/c8-3-1-4(9)6-5(2-3)10-11-7(6)12/h1-2H,(H2,10,11,12).
What are the key properties of 6-bromo-4-fluoro-1,2-dihydroindazol-3-one?
6-bromo-4-fluoro-1,2-dihydroindazol-3-one has a molecular weight of 231.02 g/mol, XLogP of 1.76, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-fluoro-1,2-dihydroindazol-3-one is sourced from PubChem (CID 24728450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).