5-amino-4-fluoro-2,5-dihydroindazol-3-one

C7H6FN3O — CID 74316086

IUPAC5-amino-4-fluoro-2,5-dihydroindazol-3-one
SMILESNC1C=CC2=NNC(=O)C2=C1F
InChIInChI=1S/C7H6FN3O/c8-6-3(9)1-2-4-5(6)7(12)11-10-4/h1-3H,9H2,(H,11,12)
InChIKeyWWLBLZDKRKBDND-UHFFFAOYSA-N
MW167.14 g/mol
LogP-0.41
Rot. Bonds

About 5-amino-4-fluoro-2,5-dihydroindazol-3-one

5-amino-4-fluoro-2,5-dihydroindazol-3-one (PubChem CID 74316086) has the molecular formula C7H6FN3O and a molecular weight of 167.14 g/mol. Its IUPAC name is 5-amino-4-fluoro-2,5-dihydroindazol-3-one.

Molecular Properties

Compound Name5-amino-4-fluoro-2,5-dihydroindazol-3-one
PubChem CID74316086
Molecular FormulaC7H6FN3O
Molecular Weight167.14 g/mol
Exact Mass167.05
IUPAC Name5-amino-4-fluoro-2,5-dihydroindazol-3-one
SMILESNC1C=CC2=NNC(=O)C2=C1F
InChIInChI=1S/C7H6FN3O/c8-6-3(9)1-2-4-5(6)7(12)11-10-4/h1-3H,9H2,(H,11,12)
InChIKeyWWLBLZDKRKBDND-UHFFFAOYSA-N
XLogP-0.41
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.14
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}

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Related Compounds

7-Amino-4-fluoro-2,7-dihydroindazol-3-one
CID 74523643
5-Amino-4-bromo-2,5-dihydroindazol-3-one
CID 74316084

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-fluoro-2,5-dihydroindazol-3-one?
The IUPAC name of 5-amino-4-fluoro-2,5-dihydroindazol-3-one (CID 74316086) is 5-amino-4-fluoro-2,5-dihydroindazol-3-one.
What is the SMILES notation for 5-amino-4-fluoro-2,5-dihydroindazol-3-one?
The canonical SMILES for 5-amino-4-fluoro-2,5-dihydroindazol-3-one is NC1C=CC2=NNC(=O)C2=C1F.
What is the InChIKey of 5-amino-4-fluoro-2,5-dihydroindazol-3-one?
The InChIKey is WWLBLZDKRKBDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN3O/c8-6-3(9)1-2-4-5(6)7(12)11-10-4/h1-3H,9H2,(H,11,12).
What are the key properties of 5-amino-4-fluoro-2,5-dihydroindazol-3-one?
5-amino-4-fluoro-2,5-dihydroindazol-3-one has a molecular weight of 167.14 g/mol, XLogP of -0.41, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-fluoro-2,5-dihydroindazol-3-one is sourced from PubChem (CID 74316086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).