4-fluoro-5-(1-iodoethyl)-1H-indazole

C9H8FIN2 — CID 135227288

IUPAC4-fluoro-5-(1-iodoethyl)-1H-indazole
SMILESCC(I)c1ccc2[nH]ncc2c1F
InChIInChI=1S/C9H8FIN2/c1-5(11)6-2-3-8-7(9(6)10)4-12-13-8/h2-5H,1H3,(H,12,13)
InChIKeyATKUCTBEPSHZBB-UHFFFAOYSA-N
MW290.08 g/mol
LogP3.20
Rot. Bonds1

About 4-fluoro-5-(1-iodoethyl)-1H-indazole

4-fluoro-5-(1-iodoethyl)-1H-indazole (PubChem CID 135227288) has the molecular formula C9H8FIN2 and a molecular weight of 290.08 g/mol. Its IUPAC name is 4-fluoro-5-(1-iodoethyl)-1H-indazole.

Molecular Properties

Compound Name4-fluoro-5-(1-iodoethyl)-1H-indazole
PubChem CID135227288
Molecular FormulaC9H8FIN2
Molecular Weight290.08 g/mol
Exact Mass289.97
IUPAC Name4-fluoro-5-(1-iodoethyl)-1H-indazole
SMILESCC(I)c1ccc2[nH]ncc2c1F
InChIInChI=1S/C9H8FIN2/c1-5(11)6-2-3-8-7(9(6)10)4-12-13-8/h2-5H,1H3,(H,12,13)
InChIKeyATKUCTBEPSHZBB-UHFFFAOYSA-N
XLogP3.20
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.08
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-(1-iodoethyl)-1H-indazole?
The IUPAC name of 4-fluoro-5-(1-iodoethyl)-1H-indazole (CID 135227288) is 4-fluoro-5-(1-iodoethyl)-1H-indazole.
What is the SMILES notation for 4-fluoro-5-(1-iodoethyl)-1H-indazole?
The canonical SMILES for 4-fluoro-5-(1-iodoethyl)-1H-indazole is CC(I)c1ccc2[nH]ncc2c1F.
What is the InChIKey of 4-fluoro-5-(1-iodoethyl)-1H-indazole?
The InChIKey is ATKUCTBEPSHZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FIN2/c1-5(11)6-2-3-8-7(9(6)10)4-12-13-8/h2-5H,1H3,(H,12,13).
What are the key properties of 4-fluoro-5-(1-iodoethyl)-1H-indazole?
4-fluoro-5-(1-iodoethyl)-1H-indazole has a molecular weight of 290.08 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-(1-iodoethyl)-1H-indazole is sourced from PubChem (CID 135227288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).