6-fluoro-5-iodo-1H-indazole

C7H4FIN2 — CID 70970480

IUPAC6-fluoro-5-iodo-1H-indazole
SMILESFc1cc2[nH]ncc2cc1I
InChIInChI=1S/C7H4FIN2/c8-5-2-7-4(1-6(5)9)3-10-11-7/h1-3H,(H,10,11)
InChIKeyIFAYDNUIYXDTJH-UHFFFAOYSA-N
MW262.03 g/mol
LogP2.31
Rot. Bonds

About 6-fluoro-5-iodo-1H-indazole

6-fluoro-5-iodo-1H-indazole (PubChem CID 70970480) has the molecular formula C7H4FIN2 and a molecular weight of 262.03 g/mol. Its IUPAC name is 6-fluoro-5-iodo-1H-indazole.

Molecular Properties

Compound Name6-fluoro-5-iodo-1H-indazole
PubChem CID70970480
Molecular FormulaC7H4FIN2
Molecular Weight262.03 g/mol
Exact Mass261.94
IUPAC Name6-fluoro-5-iodo-1H-indazole
SMILESFc1cc2[nH]ncc2cc1I
InChIInChI=1S/C7H4FIN2/c8-5-2-7-4(1-6(5)9)3-10-11-7/h1-3H,(H,10,11)
InChIKeyIFAYDNUIYXDTJH-UHFFFAOYSA-N
XLogP2.31
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.03
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-iodo-1H-indazole?
The IUPAC name of 6-fluoro-5-iodo-1H-indazole (CID 70970480) is 6-fluoro-5-iodo-1H-indazole.
What is the SMILES notation for 6-fluoro-5-iodo-1H-indazole?
The canonical SMILES for 6-fluoro-5-iodo-1H-indazole is Fc1cc2[nH]ncc2cc1I.
What is the InChIKey of 6-fluoro-5-iodo-1H-indazole?
The InChIKey is IFAYDNUIYXDTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FIN2/c8-5-2-7-4(1-6(5)9)3-10-11-7/h1-3H,(H,10,11).
What are the key properties of 6-fluoro-5-iodo-1H-indazole?
6-fluoro-5-iodo-1H-indazole has a molecular weight of 262.03 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-iodo-1H-indazole is sourced from PubChem (CID 70970480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).