5-fluoro-1H-indole-3-carbonyl iodide

C9H5FINO — CID 166942307

IUPAC5-fluoro-1H-indole-3-carbonyl iodide
SMILESO=C(I)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C9H5FINO/c10-5-1-2-8-6(3-5)7(4-12-8)9(11)13/h1-4,12H
InChIKeyWCHBFBODOOIPOM-UHFFFAOYSA-N
MW289.05 g/mol
LogP2.88
Rot. Bonds1

About 5-fluoro-1H-indole-3-carbonyl iodide

5-fluoro-1H-indole-3-carbonyl iodide (PubChem CID 166942307) has the molecular formula C9H5FINO and a molecular weight of 289.05 g/mol. Its IUPAC name is 5-fluoro-1H-indole-3-carbonyl iodide.

Molecular Properties

Compound Name5-fluoro-1H-indole-3-carbonyl iodide
PubChem CID166942307
Molecular FormulaC9H5FINO
Molecular Weight289.05 g/mol
Exact Mass288.94
IUPAC Name5-fluoro-1H-indole-3-carbonyl iodide
SMILESO=C(I)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C9H5FINO/c10-5-1-2-8-6(3-5)7(4-12-8)9(11)13/h1-4,12H
InChIKeyWCHBFBODOOIPOM-UHFFFAOYSA-N
XLogP2.88
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.05
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 931809
1-(5-fluoro-1H-indol-3-yl)-2,2-dimethylpropan-1-one
CID 53415729
methyl 5-fluoro-1H-indole-3-carboxylate
CID 34176452
1-(5-fluoro-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone
CID 63841273
(5-fluoro-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 24824341
4-(5-fluoro-1H-indol-3-yl)-4-oxobut-2-enoic acid
CID 77054977
1-(5-fluoro-1H-indol-3-yl)-3-methylbut-2-en-1-one
CID 53415736
5-fluoro-N,N-di(propan-2-yl)-1H-indole-3-carboxamide
CID 91755802
(3-chloro-2-fluorophenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 81267214
(2,5-dichlorothiophen-3-yl)-(5-fluoro-1H-indol-3-yl)methanone
CID 107960033
(3-chlorophenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 53414472
2-(2-chlorophenyl)-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 63841269

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1H-indole-3-carbonyl iodide?
The IUPAC name of 5-fluoro-1H-indole-3-carbonyl iodide (CID 166942307) is 5-fluoro-1H-indole-3-carbonyl iodide.
What is the SMILES notation for 5-fluoro-1H-indole-3-carbonyl iodide?
The canonical SMILES for 5-fluoro-1H-indole-3-carbonyl iodide is O=C(I)c1c[nH]c2ccc(F)cc12.
What is the InChIKey of 5-fluoro-1H-indole-3-carbonyl iodide?
The InChIKey is WCHBFBODOOIPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FINO/c10-5-1-2-8-6(3-5)7(4-12-8)9(11)13/h1-4,12H.
What are the key properties of 5-fluoro-1H-indole-3-carbonyl iodide?
5-fluoro-1H-indole-3-carbonyl iodide has a molecular weight of 289.05 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1H-indole-3-carbonyl iodide is sourced from PubChem (CID 166942307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).