3-iodocinnoline

C8H5IN2 — CID 12908769

IUPAC3-iodocinnoline
SMILESIc1cc2ccccc2nn1
InChIInChI=1S/C8H5IN2/c9-8-5-6-3-1-2-4-7(6)10-11-8/h1-5H
InChIKeyGOGSVLAIFJIPOL-UHFFFAOYSA-N
MW256.05 g/mol
LogP2.23
Rot. Bonds

About 3-iodocinnoline

3-iodocinnoline (PubChem CID 12908769) has the molecular formula C8H5IN2 and a molecular weight of 256.05 g/mol. Its IUPAC name is 3-iodocinnoline.

Molecular Properties

Compound Name3-iodocinnoline
PubChem CID12908769
Molecular FormulaC8H5IN2
Molecular Weight256.05 g/mol
Exact Mass255.95
IUPAC Name3-iodocinnoline
SMILESIc1cc2ccccc2nn1
InChIInChI=1S/C8H5IN2/c9-8-5-6-3-1-2-4-7(6)10-11-8/h1-5H
InChIKeyGOGSVLAIFJIPOL-UHFFFAOYSA-N
XLogP2.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.05
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cinnolin-3-ylcinnoline
CID 12908797
acridine
CID 21226281
3-(fluoromethyl)cinnoline
CID 141154646
acridine;methane
CID 21324126
acridine;iron
CID 158030240
acridine;sulfane
CID 159134653
acridine;dihydrate
CID 172843020
acridine;argon
CID 157415582
2-iodoquinoline
CID 159061150
cinnoline-3-carboxylic acid;ethane
CID 90831322
acridine;ethane
CID 123684759
benzo[c]cinnoline;cinnoline
CID 70561425

Frequently Asked Questions

What is the IUPAC name of 3-iodocinnoline?
The IUPAC name of 3-iodocinnoline (CID 12908769) is 3-iodocinnoline.
What is the SMILES notation for 3-iodocinnoline?
The canonical SMILES for 3-iodocinnoline is Ic1cc2ccccc2nn1.
What is the InChIKey of 3-iodocinnoline?
The InChIKey is GOGSVLAIFJIPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5IN2/c9-8-5-6-3-1-2-4-7(6)10-11-8/h1-5H.
What are the key properties of 3-iodocinnoline?
3-iodocinnoline has a molecular weight of 256.05 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodocinnoline is sourced from PubChem (CID 12908769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).