[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methoxyphenyl]methyl hypoiodite

C14H10ClF3INO3 — CID 162586671

IUPAC[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methoxyphenyl]methyl hypoiodite
SMILESCOc1cc(Oc2ncc(C(F)(F)F)cc2Cl)ccc1COI
InChIInChI=1S/C14H10ClF3INO3/c1-21-12-5-10(3-2-8(12)7-22-19)23-13-11(15)4-9(6-20-13)14(16,17)18/h2-6H,7H2,1H3
InChIKeyOHDDRPVITCYWNP-UHFFFAOYSA-N
MW459.59 g/mol
LogP5.42
Rot. Bonds5

About [4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methoxyphenyl]methyl hypoiodite

[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methoxyphenyl]methyl hypoiodite (PubChem CID 162586671) has the molecular formula C14H10ClF3INO3 and a molecular weight of 459.59 g/mol. Its IUPAC name is [4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methoxyphenyl]methyl hypoiodite.

Molecular Properties

Compound Name[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methoxyphenyl]methyl hypoiodite
PubChem CID162586671
Molecular FormulaC14H10ClF3INO3
Molecular Weight459.59 g/mol
Exact Mass458.93
IUPAC Name[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methoxyphenyl]methyl hypoiodite
SMILESCOc1cc(Oc2ncc(C(F)(F)F)cc2Cl)ccc1COI
InChIInChI=1S/C14H10ClF3INO3/c1-21-12-5-10(3-2-8(12)7-22-19)23-13-11(15)4-9(6-20-13)14(16,17)18/h2-6H,7H2,1H3
InChIKeyOHDDRPVITCYWNP-UHFFFAOYSA-N
XLogP5.42
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.59
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methoxyphenyl]methyl hypoiodite?
The IUPAC name of [4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methoxyphenyl]methyl hypoiodite (CID 162586671) is [4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methoxyphenyl]methyl hypoiodite.
What is the SMILES notation for [4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methoxyphenyl]methyl hypoiodite?
The canonical SMILES for [4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methoxyphenyl]methyl hypoiodite is COc1cc(Oc2ncc(C(F)(F)F)cc2Cl)ccc1COI.
What is the InChIKey of [4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methoxyphenyl]methyl hypoiodite?
The InChIKey is OHDDRPVITCYWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3INO3/c1-21-12-5-10(3-2-8(12)7-22-19)23-13-11(15)4-9(6-20-13)14(16,17)18/h2-6H,7H2,1H3.
What are the key properties of [4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methoxyphenyl]methyl hypoiodite?
[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methoxyphenyl]methyl hypoiodite has a molecular weight of 459.59 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methoxyphenyl]methyl hypoiodite is sourced from PubChem (CID 162586671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).