4-fluoro-3-iodo-2H-indazol-7-amine

C7H5FIN3 — CID 24729238

IUPAC4-fluoro-3-iodo-2H-indazol-7-amine
SMILESNc1ccc(F)c2c(I)[nH]nc12
InChIInChI=1S/C7H5FIN3/c8-3-1-2-4(10)6-5(3)7(9)12-11-6/h1-2H,10H2,(H,11,12)
InChIKeyIDFQIGBEFPXVTQ-UHFFFAOYSA-N
MW277.04 g/mol
LogP1.89
Rot. Bonds

About 4-fluoro-3-iodo-2H-indazol-7-amine

4-fluoro-3-iodo-2H-indazol-7-amine (PubChem CID 24729238) has the molecular formula C7H5FIN3 and a molecular weight of 277.04 g/mol. Its IUPAC name is 4-fluoro-3-iodo-2H-indazol-7-amine.

Molecular Properties

Compound Name4-fluoro-3-iodo-2H-indazol-7-amine
PubChem CID24729238
Molecular FormulaC7H5FIN3
Molecular Weight277.04 g/mol
Exact Mass276.95
IUPAC Name4-fluoro-3-iodo-2H-indazol-7-amine
SMILESNc1ccc(F)c2c(I)[nH]nc12
InChIInChI=1S/C7H5FIN3/c8-3-1-2-4(10)6-5(3)7(9)12-11-6/h1-2H,10H2,(H,11,12)
InChIKeyIDFQIGBEFPXVTQ-UHFFFAOYSA-N
XLogP1.89
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.04
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-iodo-2H-indazol-7-amine?
The IUPAC name of 4-fluoro-3-iodo-2H-indazol-7-amine (CID 24729238) is 4-fluoro-3-iodo-2H-indazol-7-amine.
What is the SMILES notation for 4-fluoro-3-iodo-2H-indazol-7-amine?
The canonical SMILES for 4-fluoro-3-iodo-2H-indazol-7-amine is Nc1ccc(F)c2c(I)[nH]nc12.
What is the InChIKey of 4-fluoro-3-iodo-2H-indazol-7-amine?
The InChIKey is IDFQIGBEFPXVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FIN3/c8-3-1-2-4(10)6-5(3)7(9)12-11-6/h1-2H,10H2,(H,11,12).
What are the key properties of 4-fluoro-3-iodo-2H-indazol-7-amine?
4-fluoro-3-iodo-2H-indazol-7-amine has a molecular weight of 277.04 g/mol, XLogP of 1.89, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-iodo-2H-indazol-7-amine is sourced from PubChem (CID 24729238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).