2-(4-chlorophenyl)selanylpyridine;molecular iodine

C11H8ClI2NSe — CID 139178443

IUPAC2-(4-chlorophenyl)selanylpyridine;molecular iodine
SMILESClc1ccc([Se]c2ccccn2)cc1.II
InChIInChI=1S/C11H8ClNSe.I2/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11;1-2/h1-8H;
InChIKeyRSXMKEFHPHPYMH-UHFFFAOYSA-N
MW522.41 g/mol
LogP3.16
Rot. Bonds2

About 2-(4-chlorophenyl)selanylpyridine;molecular iodine

2-(4-chlorophenyl)selanylpyridine;molecular iodine (PubChem CID 139178443) has the molecular formula C11H8ClI2NSe and a molecular weight of 522.41 g/mol. Its IUPAC name is 2-(4-chlorophenyl)selanylpyridine;molecular iodine.

Molecular Properties

Compound Name2-(4-chlorophenyl)selanylpyridine;molecular iodine
PubChem CID139178443
Molecular FormulaC11H8ClI2NSe
Molecular Weight522.41 g/mol
Exact Mass522.76
IUPAC Name2-(4-chlorophenyl)selanylpyridine;molecular iodine
SMILESClc1ccc([Se]c2ccccn2)cc1.II
InChIInChI=1S/C11H8ClNSe.I2/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11;1-2/h1-8H;
InChIKeyRSXMKEFHPHPYMH-UHFFFAOYSA-N
XLogP3.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.41
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylphenyl)selanylpyridine
CID 102494013
N-(4-chlorophenyl)pyridin-2-amine
CID 139075249
2-(trifluoromethylselanyl)pyridine
CID 13447120
2-chloropyridine;iodomethane
CID 15747513
azane;2-chloropyridine
CID 87126107
(4-chlorophenyl)-dipyridin-2-ylmethanol
CID 142751464
2-(4-chloro-2-fluorophenyl)pyridine
CID 57200729
2-[2-(4-chlorophenyl)pyrazol-3-yl]pyridine
CID 56956135
(Z)-1-(4-chlorophenyl)-3-pyridin-2-ylprop-2-en-1-one
CID 92856000
4-(4-chlorophenyl)-2,6-dipyridin-2-ylpyridine
CID 10871645
2-[(2S,3S)-3-(4-chlorophenyl)aziridin-2-yl]pyridine
CID 45115080
2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]pyridine
CID 2172820

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)selanylpyridine;molecular iodine?
The IUPAC name of 2-(4-chlorophenyl)selanylpyridine;molecular iodine (CID 139178443) is 2-(4-chlorophenyl)selanylpyridine;molecular iodine.
What is the SMILES notation for 2-(4-chlorophenyl)selanylpyridine;molecular iodine?
The canonical SMILES for 2-(4-chlorophenyl)selanylpyridine;molecular iodine is Clc1ccc([Se]c2ccccn2)cc1.II.
What is the InChIKey of 2-(4-chlorophenyl)selanylpyridine;molecular iodine?
The InChIKey is RSXMKEFHPHPYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNSe.I2/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11;1-2/h1-8H;.
What are the key properties of 2-(4-chlorophenyl)selanylpyridine;molecular iodine?
2-(4-chlorophenyl)selanylpyridine;molecular iodine has a molecular weight of 522.41 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)selanylpyridine;molecular iodine is sourced from PubChem (CID 139178443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).