4-(1-iodoethyl)-1H-imidazo[4,5-c]pyridine

C8H8IN3 — CID 163753876

IUPAC4-(1-iodoethyl)-1H-imidazo[4,5-c]pyridine
SMILESCC(I)c1nccc2[nH]cnc12
InChIInChI=1S/C8H8IN3/c1-5(9)7-8-6(2-3-10-7)11-4-12-8/h2-5H,1H3,(H,11,12)
InChIKeyLSIVKYYNTHWFNH-UHFFFAOYSA-N
MW273.08 g/mol
LogP2.45
Rot. Bonds1

About 4-(1-iodoethyl)-1H-imidazo[4,5-c]pyridine

4-(1-iodoethyl)-1H-imidazo[4,5-c]pyridine (PubChem CID 163753876) has the molecular formula C8H8IN3 and a molecular weight of 273.08 g/mol. Its IUPAC name is 4-(1-iodoethyl)-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(1-iodoethyl)-1H-imidazo[4,5-c]pyridine
PubChem CID163753876
Molecular FormulaC8H8IN3
Molecular Weight273.08 g/mol
Exact Mass272.98
IUPAC Name4-(1-iodoethyl)-1H-imidazo[4,5-c]pyridine
SMILESCC(I)c1nccc2[nH]cnc12
InChIInChI=1S/C8H8IN3/c1-5(9)7-8-6(2-3-10-7)11-4-12-8/h2-5H,1H3,(H,11,12)
InChIKeyLSIVKYYNTHWFNH-UHFFFAOYSA-N
XLogP2.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.08
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-iodoethyl)-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 4-(1-iodoethyl)-1H-imidazo[4,5-c]pyridine (CID 163753876) is 4-(1-iodoethyl)-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-(1-iodoethyl)-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 4-(1-iodoethyl)-1H-imidazo[4,5-c]pyridine is CC(I)c1nccc2[nH]cnc12.
What is the InChIKey of 4-(1-iodoethyl)-1H-imidazo[4,5-c]pyridine?
The InChIKey is LSIVKYYNTHWFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8IN3/c1-5(9)7-8-6(2-3-10-7)11-4-12-8/h2-5H,1H3,(H,11,12).
What are the key properties of 4-(1-iodoethyl)-1H-imidazo[4,5-c]pyridine?
4-(1-iodoethyl)-1H-imidazo[4,5-c]pyridine has a molecular weight of 273.08 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-iodoethyl)-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 163753876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).