(4,6-dichloro-1,3,5-triazin-2-yl) hypoiodite

C3Cl2IN3O — CID 90346653

IUPAC(4,6-dichloro-1,3,5-triazin-2-yl) hypoiodite
SMILESClc1nc(Cl)nc(OI)n1
InChIInChI=1S/C3Cl2IN3O/c4-1-7-2(5)9-3(8-1)10-6
InChIKeyKWZWFUJJVBIRLA-UHFFFAOYSA-N
MW291.86 g/mol
LogP1.91
Rot. Bonds1

About (4,6-dichloro-1,3,5-triazin-2-yl) hypoiodite

(4,6-dichloro-1,3,5-triazin-2-yl) hypoiodite (PubChem CID 90346653) has the molecular formula C3Cl2IN3O and a molecular weight of 291.86 g/mol. Its IUPAC name is (4,6-dichloro-1,3,5-triazin-2-yl) hypoiodite.

Molecular Properties

Compound Name(4,6-dichloro-1,3,5-triazin-2-yl) hypoiodite
PubChem CID90346653
Molecular FormulaC3Cl2IN3O
Molecular Weight291.86 g/mol
Exact Mass290.85
IUPAC Name(4,6-dichloro-1,3,5-triazin-2-yl) hypoiodite
SMILESClc1nc(Cl)nc(OI)n1
InChIInChI=1S/C3Cl2IN3O/c4-1-7-2(5)9-3(8-1)10-6
InChIKeyKWZWFUJJVBIRLA-UHFFFAOYSA-N
XLogP1.91
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.86
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-6-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]phenoxy]-1,3,5-triazine
CID 10341266
2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethanol
CID 62859409
2,4-dichloro-6-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]-2-methylpropoxy]-1,3,5-triazine
CID 154200189
2,4-dichloro-6-(2,2-dimethylpropoxy)-1,3,5-triazine
CID 58543777
2,4-dichloro-6-(2,4,6-trichlorophenoxy)-1,3,5-triazine
CID 143041906
2,4-dichloro-6-phenoxy-1,3,5-triazine;ethane
CID 91071262
2-(4-bromophenoxy)-4,6-dichloro-1,3,5-triazine
CID 3858351
2,4-dichloro-6-(3,5-dimethoxyphenoxy)-1,3,5-triazine
CID 62858062
4,6-dichloro-1,3,5-triazin-2-olate
CID 22016327
2,4-dichloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1,3,5-triazine
CID 103174578
2-[[4-chloro-6-(2-hydroxyethoxy)-1,3,5-triazin-2-yl]oxy]ethanol
CID 87430184
2,4-dichloro-6-(2-methoxyphenoxy)-1,3,5-triazine
CID 54201901

Frequently Asked Questions

What is the IUPAC name of (4,6-dichloro-1,3,5-triazin-2-yl) hypoiodite?
The IUPAC name of (4,6-dichloro-1,3,5-triazin-2-yl) hypoiodite (CID 90346653) is (4,6-dichloro-1,3,5-triazin-2-yl) hypoiodite.
What is the SMILES notation for (4,6-dichloro-1,3,5-triazin-2-yl) hypoiodite?
The canonical SMILES for (4,6-dichloro-1,3,5-triazin-2-yl) hypoiodite is Clc1nc(Cl)nc(OI)n1.
What is the InChIKey of (4,6-dichloro-1,3,5-triazin-2-yl) hypoiodite?
The InChIKey is KWZWFUJJVBIRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3Cl2IN3O/c4-1-7-2(5)9-3(8-1)10-6.
What are the key properties of (4,6-dichloro-1,3,5-triazin-2-yl) hypoiodite?
(4,6-dichloro-1,3,5-triazin-2-yl) hypoiodite has a molecular weight of 291.86 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dichloro-1,3,5-triazin-2-yl) hypoiodite is sourced from PubChem (CID 90346653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).