8-ethyl-6-iodo-9H-pyrido[3,4-b]indole

C13H11IN2 — CID 70884000

IUPAC8-ethyl-6-iodo-9H-pyrido[3,4-b]indole
SMILESCCc1cc(I)cc2c1[nH]c1cnccc12
InChIInChI=1S/C13H11IN2/c1-2-8-5-9(14)6-11-10-3-4-15-7-12(10)16-13(8)11/h3-7,16H,2H2,1H3
InChIKeyQHEWORPQZCEWED-UHFFFAOYSA-N
MW322.15 g/mol
LogP3.88
Rot. Bonds1

About 8-ethyl-6-iodo-9H-pyrido[3,4-b]indole

8-ethyl-6-iodo-9H-pyrido[3,4-b]indole (PubChem CID 70884000) has the molecular formula C13H11IN2 and a molecular weight of 322.15 g/mol. Its IUPAC name is 8-ethyl-6-iodo-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name8-ethyl-6-iodo-9H-pyrido[3,4-b]indole
PubChem CID70884000
Molecular FormulaC13H11IN2
Molecular Weight322.15 g/mol
Exact Mass322.00
IUPAC Name8-ethyl-6-iodo-9H-pyrido[3,4-b]indole
SMILESCCc1cc(I)cc2c1[nH]c1cnccc12
InChIInChI=1S/C13H11IN2/c1-2-8-5-9(14)6-11-10-3-4-15-7-12(10)16-13(8)11/h3-7,16H,2H2,1H3
InChIKeyQHEWORPQZCEWED-UHFFFAOYSA-N
XLogP3.88
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 53.88
H-Bond Donors ≤ 51
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 8-ethyl-6-iodo-9H-pyrido[3,4-b]indole?
The IUPAC name of 8-ethyl-6-iodo-9H-pyrido[3,4-b]indole (CID 70884000) is 8-ethyl-6-iodo-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 8-ethyl-6-iodo-9H-pyrido[3,4-b]indole?
The canonical SMILES for 8-ethyl-6-iodo-9H-pyrido[3,4-b]indole is CCc1cc(I)cc2c1[nH]c1cnccc12.
What is the InChIKey of 8-ethyl-6-iodo-9H-pyrido[3,4-b]indole?
The InChIKey is QHEWORPQZCEWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IN2/c1-2-8-5-9(14)6-11-10-3-4-15-7-12(10)16-13(8)11/h3-7,16H,2H2,1H3.
What are the key properties of 8-ethyl-6-iodo-9H-pyrido[3,4-b]indole?
8-ethyl-6-iodo-9H-pyrido[3,4-b]indole has a molecular weight of 322.15 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-6-iodo-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 70884000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).