4,6-dichloro-1-[(4-iodophenyl)methyl]indole

C15H10Cl2IN — CID 103428355

IUPAC4,6-dichloro-1-[(4-iodophenyl)methyl]indole
SMILESClc1cc(Cl)c2ccn(Cc3ccc(I)cc3)c2c1
InChIInChI=1S/C15H10Cl2IN/c16-11-7-14(17)13-5-6-19(15(13)8-11)9-10-1-3-12(18)4-2-10/h1-8H,9H2
InChIKeyQGQNQTRGCLEPPS-UHFFFAOYSA-N
MW402.06 g/mol
LogP5.60
Rot. Bonds2

About 4,6-dichloro-1-[(4-iodophenyl)methyl]indole

4,6-dichloro-1-[(4-iodophenyl)methyl]indole (PubChem CID 103428355) has the molecular formula C15H10Cl2IN and a molecular weight of 402.06 g/mol. Its IUPAC name is 4,6-dichloro-1-[(4-iodophenyl)methyl]indole.

Molecular Properties

Compound Name4,6-dichloro-1-[(4-iodophenyl)methyl]indole
PubChem CID103428355
Molecular FormulaC15H10Cl2IN
Molecular Weight402.06 g/mol
Exact Mass400.92
IUPAC Name4,6-dichloro-1-[(4-iodophenyl)methyl]indole
SMILESClc1cc(Cl)c2ccn(Cc3ccc(I)cc3)c2c1
InChIInChI=1S/C15H10Cl2IN/c16-11-7-14(17)13-5-6-19(15(13)8-11)9-10-1-3-12(18)4-2-10/h1-8H,9H2
InChIKeyQGQNQTRGCLEPPS-UHFFFAOYSA-N
XLogP5.60
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.06
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-1-[(4-iodophenyl)methyl]indole?
The IUPAC name of 4,6-dichloro-1-[(4-iodophenyl)methyl]indole (CID 103428355) is 4,6-dichloro-1-[(4-iodophenyl)methyl]indole.
What is the SMILES notation for 4,6-dichloro-1-[(4-iodophenyl)methyl]indole?
The canonical SMILES for 4,6-dichloro-1-[(4-iodophenyl)methyl]indole is Clc1cc(Cl)c2ccn(Cc3ccc(I)cc3)c2c1.
What is the InChIKey of 4,6-dichloro-1-[(4-iodophenyl)methyl]indole?
The InChIKey is QGQNQTRGCLEPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2IN/c16-11-7-14(17)13-5-6-19(15(13)8-11)9-10-1-3-12(18)4-2-10/h1-8H,9H2.
What are the key properties of 4,6-dichloro-1-[(4-iodophenyl)methyl]indole?
4,6-dichloro-1-[(4-iodophenyl)methyl]indole has a molecular weight of 402.06 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1-[(4-iodophenyl)methyl]indole is sourced from PubChem (CID 103428355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).