(4-fluoro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone

C13H7FINOS — CID 82793082

IUPAC(4-fluoro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone
SMILESO=C(c1csc(I)c1)c1c[nH]c2cccc(F)c12
InChIInChI=1S/C13H7FINOS/c14-9-2-1-3-10-12(9)8(5-16-10)13(17)7-4-11(15)18-6-7/h1-6,16H
InChIKeyHLNCRTHTJXXLJO-UHFFFAOYSA-N
MW371.17 g/mol
LogP4.20
Rot. Bonds2

About (4-fluoro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone

(4-fluoro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone (PubChem CID 82793082) has the molecular formula C13H7FINOS and a molecular weight of 371.17 g/mol. Its IUPAC name is (4-fluoro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone.

Molecular Properties

Compound Name(4-fluoro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone
PubChem CID82793082
Molecular FormulaC13H7FINOS
Molecular Weight371.17 g/mol
Exact Mass370.93
IUPAC Name(4-fluoro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone
SMILESO=C(c1csc(I)c1)c1c[nH]c2cccc(F)c12
InChIInChI=1S/C13H7FINOS/c14-9-2-1-3-10-12(9)8(5-16-10)13(17)7-4-11(15)18-6-7/h1-6,16H
InChIKeyHLNCRTHTJXXLJO-UHFFFAOYSA-N
XLogP4.20
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.17
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-fluoro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-amino-4-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82793459
(2,6-difluorophenyl)-(5-iodothiophen-3-yl)methanone
CID 114972960
(3-chlorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82792283
(5-chloro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone
CID 79685663
(3-bromo-5-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82793362
2,3-dihydro-1H-inden-5-yl-(4-fluoro-1H-indol-3-yl)methanone
CID 82782504
2-(4-fluoro-1H-indole-3-carbonyl)benzoic acid
CID 82782160
(2-bromo-3-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82791826
(2,4-dibromophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 107950019
(2,5-dimethylfuran-3-yl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82792530
(5-iodothiophen-3-yl)-(5-methoxy-1H-indol-3-yl)methanone
CID 79685949
(4-fluoro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882312

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone?
The IUPAC name of (4-fluoro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone (CID 82793082) is (4-fluoro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone.
What is the SMILES notation for (4-fluoro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone?
The canonical SMILES for (4-fluoro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone is O=C(c1csc(I)c1)c1c[nH]c2cccc(F)c12.
What is the InChIKey of (4-fluoro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone?
The InChIKey is HLNCRTHTJXXLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7FINOS/c14-9-2-1-3-10-12(9)8(5-16-10)13(17)7-4-11(15)18-6-7/h1-6,16H.
What are the key properties of (4-fluoro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone?
(4-fluoro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone has a molecular weight of 371.17 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone is sourced from PubChem (CID 82793082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).