6-bromo-5-fluoro-1,2-dihydroindazol-3-one

C7H4BrFN2O — CID 122617178

IUPAC6-bromo-5-fluoro-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(Br)c(F)cc12
InChIInChI=1S/C7H4BrFN2O/c8-4-2-6-3(1-5(4)9)7(12)11-10-6/h1-2H,(H2,10,11,12)
InChIKeyOMGJHBRCRLDDFP-UHFFFAOYSA-N
MW231.02 g/mol
LogP1.76
Rot. Bonds

About 6-bromo-5-fluoro-1,2-dihydroindazol-3-one

6-bromo-5-fluoro-1,2-dihydroindazol-3-one (PubChem CID 122617178) has the molecular formula C7H4BrFN2O and a molecular weight of 231.02 g/mol. Its IUPAC name is 6-bromo-5-fluoro-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-bromo-5-fluoro-1,2-dihydroindazol-3-one
PubChem CID122617178
Molecular FormulaC7H4BrFN2O
Molecular Weight231.02 g/mol
Exact Mass229.95
IUPAC Name6-bromo-5-fluoro-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(Br)c(F)cc12
InChIInChI=1S/C7H4BrFN2O/c8-4-2-6-3(1-5(4)9)7(12)11-10-6/h1-2H,(H2,10,11,12)
InChIKeyOMGJHBRCRLDDFP-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

6-bromo-7-fluoro-2-sulfanylidene-1H-quinazolin-4-one
CID 114589044
6-(3-aminopropylamino)-1,2-dihydroindazol-3-one
CID 58936020
6-bromo-7-fluoro-3-(4-hydroxybutyl)-2H-isoquinolin-1-one
CID 178029064
6-bromo-3-chloro-7-fluoro-1H-quinolin-4-one
CID 114759586
3-(6-bromo-5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 118511986
CID 87867693
CID 87867693
6-bromo-7-fluoro-2-methyl-3H-quinazolin-4-one
CID 136675677
5-bromo-4-fluoro-1H-pyridin-2-one
CID 118408416
5-bromo-3-ethyl-6-fluoro-1H-indole
CID 145066823
6-bromo-5-fluoro-1H-indole-2,3-dione
CID 67517039
6-ethyl-1,2-dihydroindazol-3-one
CID 70315708
6-bromo-7-fluoro-2H-isoquinolin-3-one
CID 103351518

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-1,2-dihydroindazol-3-one?
The IUPAC name of 6-bromo-5-fluoro-1,2-dihydroindazol-3-one (CID 122617178) is 6-bromo-5-fluoro-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-bromo-5-fluoro-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-bromo-5-fluoro-1,2-dihydroindazol-3-one is O=c1[nH][nH]c2cc(Br)c(F)cc12.
What is the InChIKey of 6-bromo-5-fluoro-1,2-dihydroindazol-3-one?
The InChIKey is OMGJHBRCRLDDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrFN2O/c8-4-2-6-3(1-5(4)9)7(12)11-10-6/h1-2H,(H2,10,11,12).
What are the key properties of 6-bromo-5-fluoro-1,2-dihydroindazol-3-one?
6-bromo-5-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-5-fluoro-1,2-dihydroindazol-3-one is sourced from PubChem (CID 122617178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).