1-(2-chloro-4-iodophenyl)-2,5-dihydropyrrole

C10H9ClIN — CID 107606932

IUPAC1-(2-chloro-4-iodophenyl)-2,5-dihydropyrrole
SMILESClc1cc(I)ccc1N1CC=CC1
InChIInChI=1S/C10H9ClIN/c11-9-7-8(12)3-4-10(9)13-5-1-2-6-13/h1-4,7H,5-6H2
InChIKeyCHZIGTCCOXIIHM-UHFFFAOYSA-N
MW305.55 g/mol
LogP3.32
Rot. Bonds1

About 1-(2-chloro-4-iodophenyl)-2,5-dihydropyrrole

1-(2-chloro-4-iodophenyl)-2,5-dihydropyrrole (PubChem CID 107606932) has the molecular formula C10H9ClIN and a molecular weight of 305.55 g/mol. Its IUPAC name is 1-(2-chloro-4-iodophenyl)-2,5-dihydropyrrole.

Molecular Properties

Compound Name1-(2-chloro-4-iodophenyl)-2,5-dihydropyrrole
PubChem CID107606932
Molecular FormulaC10H9ClIN
Molecular Weight305.55 g/mol
Exact Mass304.95
IUPAC Name1-(2-chloro-4-iodophenyl)-2,5-dihydropyrrole
SMILESClc1cc(I)ccc1N1CC=CC1
InChIInChI=1S/C10H9ClIN/c11-9-7-8(12)3-4-10(9)13-5-1-2-6-13/h1-4,7H,5-6H2
InChIKeyCHZIGTCCOXIIHM-UHFFFAOYSA-N
XLogP3.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.55
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-iodophenyl)-2,5-dihydropyrrole?
The IUPAC name of 1-(2-chloro-4-iodophenyl)-2,5-dihydropyrrole (CID 107606932) is 1-(2-chloro-4-iodophenyl)-2,5-dihydropyrrole.
What is the SMILES notation for 1-(2-chloro-4-iodophenyl)-2,5-dihydropyrrole?
The canonical SMILES for 1-(2-chloro-4-iodophenyl)-2,5-dihydropyrrole is Clc1cc(I)ccc1N1CC=CC1.
What is the InChIKey of 1-(2-chloro-4-iodophenyl)-2,5-dihydropyrrole?
The InChIKey is CHZIGTCCOXIIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClIN/c11-9-7-8(12)3-4-10(9)13-5-1-2-6-13/h1-4,7H,5-6H2.
What are the key properties of 1-(2-chloro-4-iodophenyl)-2,5-dihydropyrrole?
1-(2-chloro-4-iodophenyl)-2,5-dihydropyrrole has a molecular weight of 305.55 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-iodophenyl)-2,5-dihydropyrrole is sourced from PubChem (CID 107606932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).