1,5-diiodo-2-methylimidazo[4,5-b]pyridine

C7H5I2N3 — CID 167003285

IUPAC1,5-diiodo-2-methylimidazo[4,5-b]pyridine
SMILESCc1nc2nc(I)ccc2n1I
InChIInChI=1S/C7H5I2N3/c1-4-10-7-5(12(4)9)2-3-6(8)11-7/h2-3H,1H3
InChIKeyKDTVDBKQERPVST-UHFFFAOYSA-N
MW384.95 g/mol
LogP2.54
Rot. Bonds

About 1,5-diiodo-2-methylimidazo[4,5-b]pyridine

1,5-diiodo-2-methylimidazo[4,5-b]pyridine (PubChem CID 167003285) has the molecular formula C7H5I2N3 and a molecular weight of 384.95 g/mol. Its IUPAC name is 1,5-diiodo-2-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name1,5-diiodo-2-methylimidazo[4,5-b]pyridine
PubChem CID167003285
Molecular FormulaC7H5I2N3
Molecular Weight384.95 g/mol
Exact Mass384.86
IUPAC Name1,5-diiodo-2-methylimidazo[4,5-b]pyridine
SMILESCc1nc2nc(I)ccc2n1I
InChIInChI=1S/C7H5I2N3/c1-4-10-7-5(12(4)9)2-3-6(8)11-7/h2-3H,1H3
InChIKeyKDTVDBKQERPVST-UHFFFAOYSA-N
XLogP2.54
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.95
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,5-diiodo-2-methylimidazo[4,5-b]pyridine?
The IUPAC name of 1,5-diiodo-2-methylimidazo[4,5-b]pyridine (CID 167003285) is 1,5-diiodo-2-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 1,5-diiodo-2-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 1,5-diiodo-2-methylimidazo[4,5-b]pyridine is Cc1nc2nc(I)ccc2n1I.
What is the InChIKey of 1,5-diiodo-2-methylimidazo[4,5-b]pyridine?
The InChIKey is KDTVDBKQERPVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5I2N3/c1-4-10-7-5(12(4)9)2-3-6(8)11-7/h2-3H,1H3.
What are the key properties of 1,5-diiodo-2-methylimidazo[4,5-b]pyridine?
1,5-diiodo-2-methylimidazo[4,5-b]pyridine has a molecular weight of 384.95 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diiodo-2-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 167003285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).