2-(2-iodophenyl)-1H-indole

C14H10IN — CID 12996175

IUPAC2-(2-iodophenyl)-1H-indole
SMILESIc1ccccc1-c1cc2ccccc2[nH]1
InChIInChI=1S/C14H10IN/c15-12-7-3-2-6-11(12)14-9-10-5-1-4-8-13(10)16-14/h1-9,16H
InChIKeyPMTZZWCNXSOXIK-UHFFFAOYSA-N
MW319.15 g/mol
LogP4.44
Rot. Bonds1

About 2-(2-iodophenyl)-1H-indole

2-(2-iodophenyl)-1H-indole (PubChem CID 12996175) has the molecular formula C14H10IN and a molecular weight of 319.15 g/mol. Its IUPAC name is 2-(2-iodophenyl)-1H-indole.

Molecular Properties

Compound Name2-(2-iodophenyl)-1H-indole
PubChem CID12996175
Molecular FormulaC14H10IN
Molecular Weight319.15 g/mol
Exact Mass318.99
IUPAC Name2-(2-iodophenyl)-1H-indole
SMILESIc1ccccc1-c1cc2ccccc2[nH]1
InChIInChI=1S/C14H10IN/c15-12-7-3-2-6-11(12)14-9-10-5-1-4-8-13(10)16-14/h1-9,16H
InChIKeyPMTZZWCNXSOXIK-UHFFFAOYSA-N
XLogP4.44
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-iodophenyl)-1H-indole?
The IUPAC name of 2-(2-iodophenyl)-1H-indole (CID 12996175) is 2-(2-iodophenyl)-1H-indole.
What is the SMILES notation for 2-(2-iodophenyl)-1H-indole?
The canonical SMILES for 2-(2-iodophenyl)-1H-indole is Ic1ccccc1-c1cc2ccccc2[nH]1.
What is the InChIKey of 2-(2-iodophenyl)-1H-indole?
The InChIKey is PMTZZWCNXSOXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10IN/c15-12-7-3-2-6-11(12)14-9-10-5-1-4-8-13(10)16-14/h1-9,16H.
What are the key properties of 2-(2-iodophenyl)-1H-indole?
2-(2-iodophenyl)-1H-indole has a molecular weight of 319.15 g/mol, XLogP of 4.44, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodophenyl)-1H-indole is sourced from PubChem (CID 12996175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).