5-(4-chloro-2-iodophenyl)-5-azaspiro[2.3]hexane

C11H11ClIN — CID 107641028

IUPAC5-(4-chloro-2-iodophenyl)-5-azaspiro[2.3]hexane
SMILESClc1ccc(N2CC3(CC3)C2)c(I)c1
InChIInChI=1S/C11H11ClIN/c12-8-1-2-10(9(13)5-8)14-6-11(7-14)3-4-11/h1-2,5H,3-4,6-7H2
InChIKeyLIVZHWUBXSLOMK-UHFFFAOYSA-N
MW319.57 g/mol
LogP3.54
Rot. Bonds1

About 5-(4-chloro-2-iodophenyl)-5-azaspiro[2.3]hexane

5-(4-chloro-2-iodophenyl)-5-azaspiro[2.3]hexane (PubChem CID 107641028) has the molecular formula C11H11ClIN and a molecular weight of 319.57 g/mol. Its IUPAC name is 5-(4-chloro-2-iodophenyl)-5-azaspiro[2.3]hexane.

Molecular Properties

Compound Name5-(4-chloro-2-iodophenyl)-5-azaspiro[2.3]hexane
PubChem CID107641028
Molecular FormulaC11H11ClIN
Molecular Weight319.57 g/mol
Exact Mass318.96
IUPAC Name5-(4-chloro-2-iodophenyl)-5-azaspiro[2.3]hexane
SMILESClc1ccc(N2CC3(CC3)C2)c(I)c1
InChIInChI=1S/C11H11ClIN/c12-8-1-2-10(9(13)5-8)14-6-11(7-14)3-4-11/h1-2,5H,3-4,6-7H2
InChIKeyLIVZHWUBXSLOMK-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.57
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-2-iodophenyl)-2-azaspiro[3.4]octane
CID 107641023
1-(4-chloro-2-iodophenyl)-3,3-diethylazetidine
CID 107641033
1-(4-chloro-2-iodophenyl)azepane
CID 107641046
4-(5-azaspiro[2.3]hexan-5-yl)-3-chloroaniline
CID 79688620
2-(4-chloro-2-iodophenyl)-1,3-dihydroisoindol-5-amine
CID 107629433
1-(4-chloro-2-iodophenyl)imidazolidine-2,4-dione
CID 107640384
5-(5-iodo-2-methylphenyl)-5-azaspiro[2.3]hexane
CID 130498028
4-(4-chloro-2-iodophenyl)-1,2,4-triazole
CID 66744706
4-(4-chloro-2-iodophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 107640300
2-[6-(4-chloro-2-fluorophenyl)-2,6-diazaspiro[3.3]heptan-2-yl]aniline
CID 156503572
1-(4-chloro-2-iodophenyl)-N-cyclopropylpiperidin-3-amine
CID 107639795
10-(4-chloro-2-iodophenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 107640265

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-iodophenyl)-5-azaspiro[2.3]hexane?
The IUPAC name of 5-(4-chloro-2-iodophenyl)-5-azaspiro[2.3]hexane (CID 107641028) is 5-(4-chloro-2-iodophenyl)-5-azaspiro[2.3]hexane.
What is the SMILES notation for 5-(4-chloro-2-iodophenyl)-5-azaspiro[2.3]hexane?
The canonical SMILES for 5-(4-chloro-2-iodophenyl)-5-azaspiro[2.3]hexane is Clc1ccc(N2CC3(CC3)C2)c(I)c1.
What is the InChIKey of 5-(4-chloro-2-iodophenyl)-5-azaspiro[2.3]hexane?
The InChIKey is LIVZHWUBXSLOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClIN/c12-8-1-2-10(9(13)5-8)14-6-11(7-14)3-4-11/h1-2,5H,3-4,6-7H2.
What are the key properties of 5-(4-chloro-2-iodophenyl)-5-azaspiro[2.3]hexane?
5-(4-chloro-2-iodophenyl)-5-azaspiro[2.3]hexane has a molecular weight of 319.57 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-iodophenyl)-5-azaspiro[2.3]hexane is sourced from PubChem (CID 107641028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).