[5-methoxy-2-(trifluoromethyl)-4-pyridinyl] thiohypoiodite

C7H5F3INOS — CID 138517138

IUPAC[5-methoxy-2-(trifluoromethyl)-4-pyridinyl] thiohypoiodite
SMILESCOc1cnc(C(F)(F)F)cc1SI
InChIInChI=1S/C7H5F3INOS/c1-13-4-3-12-6(7(8,9)10)2-5(4)14-11/h2-3H,1H3
InChIKeySEKPOZARPCDMPC-UHFFFAOYSA-N
MW335.09 g/mol
LogP3.55
Rot. Bonds2

About [5-methoxy-2-(trifluoromethyl)-4-pyridinyl] thiohypoiodite

[5-methoxy-2-(trifluoromethyl)-4-pyridinyl] thiohypoiodite (PubChem CID 138517138) has the molecular formula C7H5F3INOS and a molecular weight of 335.09 g/mol. Its IUPAC name is [5-methoxy-2-(trifluoromethyl)-4-pyridinyl] thiohypoiodite.

Molecular Properties

Compound Name[5-methoxy-2-(trifluoromethyl)-4-pyridinyl] thiohypoiodite
PubChem CID138517138
Molecular FormulaC7H5F3INOS
Molecular Weight335.09 g/mol
Exact Mass334.91
IUPAC Name[5-methoxy-2-(trifluoromethyl)-4-pyridinyl] thiohypoiodite
SMILESCOc1cnc(C(F)(F)F)cc1SI
InChIInChI=1S/C7H5F3INOS/c1-13-4-3-12-6(7(8,9)10)2-5(4)14-11/h2-3H,1H3
InChIKeySEKPOZARPCDMPC-UHFFFAOYSA-N
XLogP3.55
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.09
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Methoxypyridine
CID 23719
5-Methoxy-2-methylpyridine
CID 13358777
3-(Difluoromethoxy)pyridine
CID 18954644
3-Methoxy-2-methylpyridine
CID 3015270
5-Methoxy-2-methyl-1-oxo-1lambda~5~-pyridine
CID 12214019
5-Methoxypyridine-2-carbonitrile
CID 13144279
2-Fluoro-3-methoxypyridine
CID 45079809
5-(Trifluoromethoxy)picolinonitrile
CID 68111587
3-Methoxypyridine-2-carbonitrile
CID 11332493
(5-(Difluoromethoxy)pyridin-2-yl)methanamine
CID 75356577
5-(Difluoromethoxy)-2-fluoropyridine
CID 14665053
5-Methoxy-2-(trifluoromethyl)pyridine
CID 22000196

Frequently Asked Questions

What is the IUPAC name of [5-methoxy-2-(trifluoromethyl)-4-pyridinyl] thiohypoiodite?
The IUPAC name of [5-methoxy-2-(trifluoromethyl)-4-pyridinyl] thiohypoiodite (CID 138517138) is [5-methoxy-2-(trifluoromethyl)-4-pyridinyl] thiohypoiodite.
What is the SMILES notation for [5-methoxy-2-(trifluoromethyl)-4-pyridinyl] thiohypoiodite?
The canonical SMILES for [5-methoxy-2-(trifluoromethyl)-4-pyridinyl] thiohypoiodite is COc1cnc(C(F)(F)F)cc1SI.
What is the InChIKey of [5-methoxy-2-(trifluoromethyl)-4-pyridinyl] thiohypoiodite?
The InChIKey is SEKPOZARPCDMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3INOS/c1-13-4-3-12-6(7(8,9)10)2-5(4)14-11/h2-3H,1H3.
What are the key properties of [5-methoxy-2-(trifluoromethyl)-4-pyridinyl] thiohypoiodite?
[5-methoxy-2-(trifluoromethyl)-4-pyridinyl] thiohypoiodite has a molecular weight of 335.09 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-2-(trifluoromethyl)-4-pyridinyl] thiohypoiodite is sourced from PubChem (CID 138517138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).