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

C7H6FN3O — CID 27274661

IUPAC7-amino-4-fluoro-1,2-dihydroindazol-3-one
SMILESNc1ccc(F)c2c(=O)[nH][nH]c12
InChIInChI=1S/C7H6FN3O/c8-3-1-2-4(9)6-5(3)7(12)11-10-6/h1-2H,9H2,(H2,10,11,12)
InChIKeyAIBMAXWDVAMDAE-UHFFFAOYSA-N
MW167.14 g/mol
LogP0.58
Rot. Bonds

About 7-amino-4-fluoro-1,2-dihydroindazol-3-one

7-amino-4-fluoro-1,2-dihydroindazol-3-one (PubChem CID 27274661) has the molecular formula C7H6FN3O and a molecular weight of 167.14 g/mol. Its IUPAC name is 7-amino-4-fluoro-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name7-amino-4-fluoro-1,2-dihydroindazol-3-one
PubChem CID27274661
Molecular FormulaC7H6FN3O
Molecular Weight167.14 g/mol
Exact Mass167.05
IUPAC Name7-amino-4-fluoro-1,2-dihydroindazol-3-one
SMILESNc1ccc(F)c2c(=O)[nH][nH]c12
InChIInChI=1S/C7H6FN3O/c8-3-1-2-4(9)6-5(3)7(12)11-10-6/h1-2H,9H2,(H2,10,11,12)
InChIKeyAIBMAXWDVAMDAE-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
4-fluoro-1H-indazol-3-ol
CID 2810172
5-fluoro-1H-indazol-3-ol
CID 24728240
4-Phenyl-1,2-dihydroindazol-3-one
CID 49830958
7-Nitro-1,2-dihydroindazol-3-one
CID 5708331
2-Amino-5-fluorobenzohydrazide
CID 12724738
4-Hydrazinyl-7-nitro-1,2-dihydroindazol-3-one
CID 4272497
4,6-difluoro-1H-indazol-3-ol
CID 24728424
6-amino-4-fluoro-1H-indazol-3-ol
CID 24728152
2,3-Diamino-5-fluorobenzamide
CID 25194665
6,7-Difluoro-1H-indazol-3-ol
CID 24729282

Frequently Asked Questions

What is the IUPAC name of 7-amino-4-fluoro-1,2-dihydroindazol-3-one?
The IUPAC name of 7-amino-4-fluoro-1,2-dihydroindazol-3-one (CID 27274661) is 7-amino-4-fluoro-1,2-dihydroindazol-3-one.
What is the SMILES notation for 7-amino-4-fluoro-1,2-dihydroindazol-3-one?
The canonical SMILES for 7-amino-4-fluoro-1,2-dihydroindazol-3-one is Nc1ccc(F)c2c(=O)[nH][nH]c12.
What is the InChIKey of 7-amino-4-fluoro-1,2-dihydroindazol-3-one?
The InChIKey is AIBMAXWDVAMDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN3O/c8-3-1-2-4(9)6-5(3)7(12)11-10-6/h1-2H,9H2,(H2,10,11,12).
What are the key properties of 7-amino-4-fluoro-1,2-dihydroindazol-3-one?
7-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 7-amino-4-fluoro-1,2-dihydroindazol-3-one is sourced from PubChem (CID 27274661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).