3-iodo-8-methylimidazo[1,2-a]pyridine

C8H7IN2 — CID 115404343

IUPAC3-iodo-8-methylimidazo[1,2-a]pyridine
SMILESCc1cccn2c(I)cnc12
InChIInChI=1S/C8H7IN2/c1-6-3-2-4-11-7(9)5-10-8(6)11/h2-5H,1H3
InChIKeyLSKAHQYWBXCYBD-UHFFFAOYSA-N
MW258.06 g/mol
LogP2.25
Rot. Bonds

About 3-iodo-8-methylimidazo[1,2-a]pyridine

3-iodo-8-methylimidazo[1,2-a]pyridine (PubChem CID 115404343) has the molecular formula C8H7IN2 and a molecular weight of 258.06 g/mol. Its IUPAC name is 3-iodo-8-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-iodo-8-methylimidazo[1,2-a]pyridine
PubChem CID115404343
Molecular FormulaC8H7IN2
Molecular Weight258.06 g/mol
Exact Mass257.97
IUPAC Name3-iodo-8-methylimidazo[1,2-a]pyridine
SMILESCc1cccn2c(I)cnc12
InChIInChI=1S/C8H7IN2/c1-6-3-2-4-11-7(9)5-10-8(6)11/h2-5H,1H3
InChIKeyLSKAHQYWBXCYBD-UHFFFAOYSA-N
XLogP2.25
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.06
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-8-methylimidazo[1,2-a]pyridine?
The IUPAC name of 3-iodo-8-methylimidazo[1,2-a]pyridine (CID 115404343) is 3-iodo-8-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-iodo-8-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-iodo-8-methylimidazo[1,2-a]pyridine is Cc1cccn2c(I)cnc12.
What is the InChIKey of 3-iodo-8-methylimidazo[1,2-a]pyridine?
The InChIKey is LSKAHQYWBXCYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN2/c1-6-3-2-4-11-7(9)5-10-8(6)11/h2-5H,1H3.
What are the key properties of 3-iodo-8-methylimidazo[1,2-a]pyridine?
3-iodo-8-methylimidazo[1,2-a]pyridine has a molecular weight of 258.06 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-8-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 115404343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).