2-iodo-7aH-indole

C8H6IN — CID 146620139

IUPAC2-iodo-7aH-indole
SMILESIC1=NC2C=CC=CC2=C1
InChIInChI=1S/C8H6IN/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5,7H
InChIKeyDTPJAORNISHEPG-UHFFFAOYSA-N
MW243.05 g/mol
LogP2.25
Rot. Bonds

About 2-iodo-7aH-indole

2-iodo-7aH-indole (PubChem CID 146620139) has the molecular formula C8H6IN and a molecular weight of 243.05 g/mol. Its IUPAC name is 2-iodo-7aH-indole.

Molecular Properties

Compound Name2-iodo-7aH-indole
PubChem CID146620139
Molecular FormulaC8H6IN
Molecular Weight243.05 g/mol
Exact Mass242.95
IUPAC Name2-iodo-7aH-indole
SMILESIC1=NC2C=CC=CC2=C1
InChIInChI=1S/C8H6IN/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5,7H
InChIKeyDTPJAORNISHEPG-UHFFFAOYSA-N
XLogP2.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.05
LogP ≤ 52.25
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

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2,4a-dihydroisoquinolin-2-ium-4-carboxylic acid chloride
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1,4-bis(3aH-benzimidazol-2-yl)butane-1,2,3,4-tetrol
CID 24870562
2-ethyl-3aH-indene
CID 23399067
2,3-dimethyl-1,8a-dihydronaphthalene
CID 143243652
3-(dimethylamino)-8aH-isoquinolin-1-one
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(7aR)-2,7a-dihydro-1H-indene
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Frequently Asked Questions

What is the IUPAC name of 2-iodo-7aH-indole?
The IUPAC name of 2-iodo-7aH-indole (CID 146620139) is 2-iodo-7aH-indole.
What is the SMILES notation for 2-iodo-7aH-indole?
The canonical SMILES for 2-iodo-7aH-indole is IC1=NC2C=CC=CC2=C1.
What is the InChIKey of 2-iodo-7aH-indole?
The InChIKey is DTPJAORNISHEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6IN/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5,7H.
What are the key properties of 2-iodo-7aH-indole?
2-iodo-7aH-indole has a molecular weight of 243.05 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-7aH-indole is sourced from PubChem (CID 146620139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).