7-fluoro-5-iodo-2,7-dihydroindazol-3-one

C7H4FIN2O — CID 156595252

IUPAC7-fluoro-5-iodo-2,7-dihydroindazol-3-one
SMILESO=C1NN=C2C1=CC(I)=CC2F
InChIInChI=1S/C7H4FIN2O/c8-5-2-3(9)1-4-6(5)10-11-7(4)12/h1-2,5H,(H,11,12)
InChIKeyWYDZBTUZTHTZGT-UHFFFAOYSA-N
MW278.02 g/mol
LogP1.07
Rot. Bonds

About 7-fluoro-5-iodo-2,7-dihydroindazol-3-one

7-fluoro-5-iodo-2,7-dihydroindazol-3-one (PubChem CID 156595252) has the molecular formula C7H4FIN2O and a molecular weight of 278.02 g/mol. Its IUPAC name is 7-fluoro-5-iodo-2,7-dihydroindazol-3-one.

Molecular Properties

Compound Name7-fluoro-5-iodo-2,7-dihydroindazol-3-one
PubChem CID156595252
Molecular FormulaC7H4FIN2O
Molecular Weight278.02 g/mol
Exact Mass277.94
IUPAC Name7-fluoro-5-iodo-2,7-dihydroindazol-3-one
SMILESO=C1NN=C2C1=CC(I)=CC2F
InChIInChI=1S/C7H4FIN2O/c8-5-2-3(9)1-4-6(5)10-11-7(4)12/h1-2,5H,(H,11,12)
InChIKeyWYDZBTUZTHTZGT-UHFFFAOYSA-N
XLogP1.07
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.02
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-Amino-4-fluoro-2,7-dihydroindazol-3-one
CID 74523643
3H-Indazol-3-one, 5-chloro-7-fluoro-1,2-dihydro-
CID 156595250
3H-Indazol-3-one, 5-bromo-7-fluoro-1,2-dihydro-
CID 156595251
2,7-Dihydroindazol-3-one
CID 68805202
5-methylidene-2H-indazol-3-one
CID 72990724

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-iodo-2,7-dihydroindazol-3-one?
The IUPAC name of 7-fluoro-5-iodo-2,7-dihydroindazol-3-one (CID 156595252) is 7-fluoro-5-iodo-2,7-dihydroindazol-3-one.
What is the SMILES notation for 7-fluoro-5-iodo-2,7-dihydroindazol-3-one?
The canonical SMILES for 7-fluoro-5-iodo-2,7-dihydroindazol-3-one is O=C1NN=C2C1=CC(I)=CC2F.
What is the InChIKey of 7-fluoro-5-iodo-2,7-dihydroindazol-3-one?
The InChIKey is WYDZBTUZTHTZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FIN2O/c8-5-2-3(9)1-4-6(5)10-11-7(4)12/h1-2,5H,(H,11,12).
What are the key properties of 7-fluoro-5-iodo-2,7-dihydroindazol-3-one?
7-fluoro-5-iodo-2,7-dihydroindazol-3-one has a molecular weight of 278.02 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-iodo-2,7-dihydroindazol-3-one is sourced from PubChem (CID 156595252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).