4,6-difluoro-1,2-dihydroindazol-3-one

C7H4F2N2O — CID 24728424

IUPAC4,6-difluoro-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(F)cc(F)c12
InChIInChI=1S/C7H4F2N2O/c8-3-1-4(9)6-5(2-3)10-11-7(6)12/h1-2H,(H2,10,11,12)
InChIKeyJXVQYYUSQKIJNC-UHFFFAOYSA-N
MW170.12 g/mol
LogP1.13
Rot. Bonds

About 4,6-difluoro-1,2-dihydroindazol-3-one

4,6-difluoro-1,2-dihydroindazol-3-one (PubChem CID 24728424) has the molecular formula C7H4F2N2O and a molecular weight of 170.12 g/mol. Its IUPAC name is 4,6-difluoro-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name4,6-difluoro-1,2-dihydroindazol-3-one
PubChem CID24728424
Molecular FormulaC7H4F2N2O
Molecular Weight170.12 g/mol
Exact Mass170.03
IUPAC Name4,6-difluoro-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(F)cc(F)c12
InChIInChI=1S/C7H4F2N2O/c8-3-1-4(9)6-5(2-3)10-11-7(6)12/h1-2H,(H2,10,11,12)
InChIKeyJXVQYYUSQKIJNC-UHFFFAOYSA-N
XLogP1.13
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Indazolinone
CID 81829
Benzoic acid, 2-amino-, hydrazide
CID 94728
2-methyl-1H-indazol-3(2H)-one
CID 590513
2-amino-N'-[2-(trifluoroacetyl)cyclopent-1-en-1-yl]benzohydrazide
CID 3464469
6-fluoro-1H-indazol-3-ol
CID 24728218
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
2-Amino-6-fluorobenzamide
CID 2778939
5-chloro-1H-indazol-3-ol
CID 2141317
6-Chloro-1H-indazol-3-ol
CID 15219883
1H-Indazolin-3-one, 6-amino-, dihydrochloride
CID 198337

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-1,2-dihydroindazol-3-one?
The IUPAC name of 4,6-difluoro-1,2-dihydroindazol-3-one (CID 24728424) is 4,6-difluoro-1,2-dihydroindazol-3-one.
What is the SMILES notation for 4,6-difluoro-1,2-dihydroindazol-3-one?
The canonical SMILES for 4,6-difluoro-1,2-dihydroindazol-3-one is O=c1[nH][nH]c2cc(F)cc(F)c12.
What is the InChIKey of 4,6-difluoro-1,2-dihydroindazol-3-one?
The InChIKey is JXVQYYUSQKIJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N2O/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 4,6-difluoro-1,2-dihydroindazol-3-one?
4,6-difluoro-1,2-dihydroindazol-3-one has a molecular weight of 170.12 g/mol, XLogP of 1.13, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-1,2-dihydroindazol-3-one is sourced from PubChem (CID 24728424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).