[4-bromo-6-fluoro-5-[3-(1H-pyrazol-5-yl)phenoxy]indol-1-yl] thiohypoiodite

C17H10BrFIN3OS — CID 171078487

IUPAC[4-bromo-6-fluoro-5-[3-(1H-pyrazol-5-yl)phenoxy]indol-1-yl] thiohypoiodite
SMILESFc1cc2c(ccn2SI)c(Br)c1Oc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C17H10BrFIN3OS/c18-16-12-5-7-23(25-20)15(12)9-13(19)17(16)24-11-3-1-2-10(8-11)14-4-6-21-22-14/h1-9H,(H,21,22)
InChIKeyFQARUALOALFUGG-UHFFFAOYSA-N
MW530.16 g/mol
LogP6.57
Rot. Bonds4

About [4-bromo-6-fluoro-5-[3-(1H-pyrazol-5-yl)phenoxy]indol-1-yl] thiohypoiodite

[4-bromo-6-fluoro-5-[3-(1H-pyrazol-5-yl)phenoxy]indol-1-yl] thiohypoiodite (PubChem CID 171078487) has the molecular formula C17H10BrFIN3OS and a molecular weight of 530.16 g/mol. Its IUPAC name is [4-bromo-6-fluoro-5-[3-(1H-pyrazol-5-yl)phenoxy]indol-1-yl] thiohypoiodite.

Molecular Properties

Compound Name[4-bromo-6-fluoro-5-[3-(1H-pyrazol-5-yl)phenoxy]indol-1-yl] thiohypoiodite
PubChem CID171078487
Molecular FormulaC17H10BrFIN3OS
Molecular Weight530.16 g/mol
Exact Mass528.88
IUPAC Name[4-bromo-6-fluoro-5-[3-(1H-pyrazol-5-yl)phenoxy]indol-1-yl] thiohypoiodite
SMILESFc1cc2c(ccn2SI)c(Br)c1Oc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C17H10BrFIN3OS/c18-16-12-5-7-23(25-20)15(12)9-13(19)17(16)24-11-3-1-2-10(8-11)14-4-6-21-22-14/h1-9H,(H,21,22)
InChIKeyFQARUALOALFUGG-UHFFFAOYSA-N
XLogP6.57
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.16
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-bromo-6-fluoro-5-[3-(1H-pyrazol-5-yl)phenoxy]indol-1-yl] thiohypoiodite with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-bromo-6-fluoro-5-[3-(1H-pyrazol-5-yl)phenoxy]indol-1-yl] thiohypoiodite?
The IUPAC name of [4-bromo-6-fluoro-5-[3-(1H-pyrazol-5-yl)phenoxy]indol-1-yl] thiohypoiodite (CID 171078487) is [4-bromo-6-fluoro-5-[3-(1H-pyrazol-5-yl)phenoxy]indol-1-yl] thiohypoiodite.
What is the SMILES notation for [4-bromo-6-fluoro-5-[3-(1H-pyrazol-5-yl)phenoxy]indol-1-yl] thiohypoiodite?
The canonical SMILES for [4-bromo-6-fluoro-5-[3-(1H-pyrazol-5-yl)phenoxy]indol-1-yl] thiohypoiodite is Fc1cc2c(ccn2SI)c(Br)c1Oc1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of [4-bromo-6-fluoro-5-[3-(1H-pyrazol-5-yl)phenoxy]indol-1-yl] thiohypoiodite?
The InChIKey is FQARUALOALFUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrFIN3OS/c18-16-12-5-7-23(25-20)15(12)9-13(19)17(16)24-11-3-1-2-10(8-11)14-4-6-21-22-14/h1-9H,(H,21,22).
What are the key properties of [4-bromo-6-fluoro-5-[3-(1H-pyrazol-5-yl)phenoxy]indol-1-yl] thiohypoiodite?
[4-bromo-6-fluoro-5-[3-(1H-pyrazol-5-yl)phenoxy]indol-1-yl] thiohypoiodite has a molecular weight of 530.16 g/mol, XLogP of 6.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-6-fluoro-5-[3-(1H-pyrazol-5-yl)phenoxy]indol-1-yl] thiohypoiodite is sourced from PubChem (CID 171078487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).