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

C7H5FN2O — CID 24728218

IUPAC6-fluoro-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(F)ccc12
InChIInChI=1S/C7H5FN2O/c8-4-1-2-5-6(3-4)9-10-7(5)11/h1-3H,(H2,9,10,11)
InChIKeyKBPHAHZMJXVUPU-UHFFFAOYSA-N
MW152.13 g/mol
LogP1.00
Rot. Bonds

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

6-fluoro-1,2-dihydroindazol-3-one (PubChem CID 24728218) has the molecular formula C7H5FN2O and a molecular weight of 152.13 g/mol. Its IUPAC name is 6-fluoro-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-fluoro-1,2-dihydroindazol-3-one
PubChem CID24728218
Molecular FormulaC7H5FN2O
Molecular Weight152.13 g/mol
Exact Mass152.04
IUPAC Name6-fluoro-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(F)ccc12
InChIInChI=1S/C7H5FN2O/c8-4-1-2-5-6(3-4)9-10-7(5)11/h1-3H,(H2,9,10,11)
InChIKeyKBPHAHZMJXVUPU-UHFFFAOYSA-N
XLogP1.00
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.13
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3-Benzotriazin-4-one
CID 135408793
Indazolinone
CID 81829
1-methyl-2,3-dihydro-1H-indazol-3-one
CID 350589
Benzoic acid, 2-amino-, hydrazide
CID 94728
3-Indazolinone, 2-phenyl-
CID 411519
2-Benzyl-1,2-dihydro-indazol-3-one
CID 411523
2-methyl-1H-indazol-3(2H)-one
CID 590513
2-amino-N'-[2-(trifluoroacetyl)cyclopent-1-en-1-yl]benzohydrazide
CID 3464469
1,2-dihydro-6-nitro-3H-indazol-3-one
CID 3264479
5-Bromo-1,2-dihydro-3H-indazol-3-one
CID 21609265
2-butyl-1,2-dihydro-3H-indazol-3-one
CID 163570
6-Bromo-1,2-dihydro-3H-indazol-3-one
CID 24728213

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,2-dihydroindazol-3-one?
The IUPAC name of 6-fluoro-1,2-dihydroindazol-3-one (CID 24728218) is 6-fluoro-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-fluoro-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-fluoro-1,2-dihydroindazol-3-one is O=c1[nH][nH]c2cc(F)ccc12.
What is the InChIKey of 6-fluoro-1,2-dihydroindazol-3-one?
The InChIKey is KBPHAHZMJXVUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2O/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-fluoro-1,2-dihydroindazol-3-one?
6-fluoro-1,2-dihydroindazol-3-one has a molecular weight of 152.13 g/mol, XLogP of 1.00, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,2-dihydroindazol-3-one is sourced from PubChem (CID 24728218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).