[2-(2-pyridin-3-ylethyl)phenyl] hypoiodite

C13H12INO — CID 139514897

IUPAC[2-(2-pyridin-3-ylethyl)phenyl] hypoiodite
SMILESIOc1ccccc1CCc1cccnc1
InChIInChI=1S/C13H12INO/c14-16-13-6-2-1-5-12(13)8-7-11-4-3-9-15-10-11/h1-6,9-10H,7-8H2
InChIKeyZKIYXFXRTBASEG-UHFFFAOYSA-N
MW325.15 g/mol
LogP3.60
Rot. Bonds4

About [2-(2-pyridin-3-ylethyl)phenyl] hypoiodite

[2-(2-pyridin-3-ylethyl)phenyl] hypoiodite (PubChem CID 139514897) has the molecular formula C13H12INO and a molecular weight of 325.15 g/mol. Its IUPAC name is [2-(2-pyridin-3-ylethyl)phenyl] hypoiodite.

Molecular Properties

Compound Name[2-(2-pyridin-3-ylethyl)phenyl] hypoiodite
PubChem CID139514897
Molecular FormulaC13H12INO
Molecular Weight325.15 g/mol
Exact Mass325.00
IUPAC Name[2-(2-pyridin-3-ylethyl)phenyl] hypoiodite
SMILESIOc1ccccc1CCc1cccnc1
InChIInChI=1S/C13H12INO/c14-16-13-6-2-1-5-12(13)8-7-11-4-3-9-15-10-11/h1-6,9-10H,7-8H2
InChIKeyZKIYXFXRTBASEG-UHFFFAOYSA-N
XLogP3.60
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-pyridin-3-ylethyl)aniline;dihydrochloride
CID 45075131
3-(2-phenylethyl)pyridine;hydrochloride
CID 71669595
3-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyridine
CID 11973926
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
2-(2-pyridin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 66960528
O-(2-pyridin-3-ylethyl)hydroxylamine;dihydrochloride
CID 45158549
3-[(2-benzylphenoxy)methyl]pyridine
CID 112814185
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-(2-pyridin-3-ylethyl)guanidine
CID 111338735
3-(2-pyridin-3-ylethyl)-1H-indole
CID 19005702
N-[(2-methoxyphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine
CID 46993097
[4-(2-pyridin-3-ylethyl)phenyl]methanol
CID 57319891
2-(2-pyridin-3-yloxyphenyl)ethanamine
CID 63816614

Frequently Asked Questions

What is the IUPAC name of [2-(2-pyridin-3-ylethyl)phenyl] hypoiodite?
The IUPAC name of [2-(2-pyridin-3-ylethyl)phenyl] hypoiodite (CID 139514897) is [2-(2-pyridin-3-ylethyl)phenyl] hypoiodite.
What is the SMILES notation for [2-(2-pyridin-3-ylethyl)phenyl] hypoiodite?
The canonical SMILES for [2-(2-pyridin-3-ylethyl)phenyl] hypoiodite is IOc1ccccc1CCc1cccnc1.
What is the InChIKey of [2-(2-pyridin-3-ylethyl)phenyl] hypoiodite?
The InChIKey is ZKIYXFXRTBASEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12INO/c14-16-13-6-2-1-5-12(13)8-7-11-4-3-9-15-10-11/h1-6,9-10H,7-8H2.
What are the key properties of [2-(2-pyridin-3-ylethyl)phenyl] hypoiodite?
[2-(2-pyridin-3-ylethyl)phenyl] hypoiodite has a molecular weight of 325.15 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-pyridin-3-ylethyl)phenyl] hypoiodite is sourced from PubChem (CID 139514897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).