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

C7H6FN3O — CID 24728152

IUPAC6-amino-4-fluoro-1,2-dihydroindazol-3-one
SMILESNc1cc(F)c2c(=O)[nH][nH]c2c1
InChIInChI=1S/C7H6FN3O/c8-4-1-3(9)2-5-6(4)7(12)11-10-5/h1-2H,9H2,(H2,10,11,12)
InChIKeyONPNYWYDYDFKIN-UHFFFAOYSA-N
MW167.14 g/mol
LogP0.58
Rot. Bonds

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

6-amino-4-fluoro-1,2-dihydroindazol-3-one (PubChem CID 24728152) has the molecular formula C7H6FN3O and a molecular weight of 167.14 g/mol. Its IUPAC name is 6-amino-4-fluoro-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-amino-4-fluoro-1,2-dihydroindazol-3-one
PubChem CID24728152
Molecular FormulaC7H6FN3O
Molecular Weight167.14 g/mol
Exact Mass167.05
IUPAC Name6-amino-4-fluoro-1,2-dihydroindazol-3-one
SMILESNc1cc(F)c2c(=O)[nH][nH]c2c1
InChIInChI=1S/C7H6FN3O/c8-4-1-3(9)2-5-6(4)7(12)11-10-5/h1-2H,9H2,(H2,10,11,12)
InChIKeyONPNYWYDYDFKIN-UHFFFAOYSA-N
XLogP0.58
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.14
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Indazolinone
CID 81829
6-fluoro-1H-indazol-3-ol
CID 24728218
1,2-dihydro-6-nitro-3H-indazol-3-one
CID 3264479
1H-Indazolin-3-one, 6-amino-, dihydrochloride
CID 198337
4-fluoro-1H-indazol-3-ol
CID 2810172
5-fluoro-1H-indazol-3-ol
CID 24728240
2-Amino-5-fluorobenzohydrazide
CID 12724738
4,6-difluoro-1H-indazol-3-ol
CID 24728424
4-nitro-1H-indazol-3-ol
CID 24728192
5-(propan-2-yl)-2,3-dihydro-1H-indazol-3-one
CID 59191718
6,7-Difluoro-1H-indazol-3-ol
CID 24729282
2-Amino-6-fluorobenzohydrazide
CID 55281055

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-fluoro-1,2-dihydroindazol-3-one?
The IUPAC name of 6-amino-4-fluoro-1,2-dihydroindazol-3-one (CID 24728152) is 6-amino-4-fluoro-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-amino-4-fluoro-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-amino-4-fluoro-1,2-dihydroindazol-3-one is Nc1cc(F)c2c(=O)[nH][nH]c2c1.
What is the InChIKey of 6-amino-4-fluoro-1,2-dihydroindazol-3-one?
The InChIKey is ONPNYWYDYDFKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN3O/c8-4-1-3(9)2-5-6(4)7(12)11-10-5/h1-2H,9H2,(H2,10,11,12).
What are the key properties of 6-amino-4-fluoro-1,2-dihydroindazol-3-one?
6-amino-4-fluoro-1,2-dihydroindazol-3-one has a molecular weight of 167.14 g/mol, XLogP of 0.58, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-fluoro-1,2-dihydroindazol-3-one is sourced from PubChem (CID 24728152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).