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

C7H6FN3O — CID 74523643

IUPAC7-amino-4-fluoro-2,7-dihydroindazol-3-one
SMILESNC1C=CC(F)=C2C(=O)NN=C21
InChIInChI=1S/C7H6FN3O/c8-3-1-2-4(9)6-5(3)7(12)11-10-6/h1-2,4H,9H2,(H,11,12)
InChIKeyLWAGMDDKRWLHKJ-UHFFFAOYSA-N
MW167.14 g/mol
LogP-0.41
Rot. Bonds

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

7-amino-4-fluoro-2,7-dihydroindazol-3-one (PubChem CID 74523643) has the molecular formula C7H6FN3O and a molecular weight of 167.14 g/mol. Its IUPAC name is 7-amino-4-fluoro-2,7-dihydroindazol-3-one.

Molecular Properties

Compound Name7-amino-4-fluoro-2,7-dihydroindazol-3-one
PubChem CID74523643
Molecular FormulaC7H6FN3O
Molecular Weight167.14 g/mol
Exact Mass167.05
IUPAC Name7-amino-4-fluoro-2,7-dihydroindazol-3-one
SMILESNC1C=CC(F)=C2C(=O)NN=C21
InChIInChI=1S/C7H6FN3O/c8-3-1-2-4(9)6-5(3)7(12)11-10-6/h1-2,4H,9H2,(H,11,12)
InChIKeyLWAGMDDKRWLHKJ-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

5-Amino-4-fluoro-2,5-dihydroindazol-3-one
CID 74316086
3H-Indazol-3-one, 5-chloro-7-fluoro-1,2-dihydro-
CID 156595250
3H-Indazol-3-one, 7-fluoro-1,2-dihydro-5-iodo-
CID 156595252
2,7-Dihydroindazol-3-one
CID 68805202

Frequently Asked Questions

What is the IUPAC name of 7-amino-4-fluoro-2,7-dihydroindazol-3-one?
The IUPAC name of 7-amino-4-fluoro-2,7-dihydroindazol-3-one (CID 74523643) is 7-amino-4-fluoro-2,7-dihydroindazol-3-one.
What is the SMILES notation for 7-amino-4-fluoro-2,7-dihydroindazol-3-one?
The canonical SMILES for 7-amino-4-fluoro-2,7-dihydroindazol-3-one is NC1C=CC(F)=C2C(=O)NN=C21.
What is the InChIKey of 7-amino-4-fluoro-2,7-dihydroindazol-3-one?
The InChIKey is LWAGMDDKRWLHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN3O/c8-3-1-2-4(9)6-5(3)7(12)11-10-6/h1-2,4H,9H2,(H,11,12).
What are the key properties of 7-amino-4-fluoro-2,7-dihydroindazol-3-one?
7-amino-4-fluoro-2,7-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 7-amino-4-fluoro-2,7-dihydroindazol-3-one is sourced from PubChem (CID 74523643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).