2-ethyl-7-iodo-1H-imidazo[4,5-b]pyridine

C8H8IN3 — CID 66890985

IUPAC2-ethyl-7-iodo-1H-imidazo[4,5-b]pyridine
SMILESCCc1nc2nccc(I)c2[nH]1
InChIInChI=1S/C8H8IN3/c1-2-6-11-7-5(9)3-4-10-8(7)12-6/h3-4H,2H2,1H3,(H,10,11,12)
InChIKeyWWTJVLSMMVQYNM-UHFFFAOYSA-N
MW273.08 g/mol
LogP2.12
Rot. Bonds1

About 2-ethyl-7-iodo-1H-imidazo[4,5-b]pyridine

2-ethyl-7-iodo-1H-imidazo[4,5-b]pyridine (PubChem CID 66890985) has the molecular formula C8H8IN3 and a molecular weight of 273.08 g/mol. Its IUPAC name is 2-ethyl-7-iodo-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-ethyl-7-iodo-1H-imidazo[4,5-b]pyridine
PubChem CID66890985
Molecular FormulaC8H8IN3
Molecular Weight273.08 g/mol
Exact Mass272.98
IUPAC Name2-ethyl-7-iodo-1H-imidazo[4,5-b]pyridine
SMILESCCc1nc2nccc(I)c2[nH]1
InChIInChI=1S/C8H8IN3/c1-2-6-11-7-5(9)3-4-10-8(7)12-6/h3-4H,2H2,1H3,(H,10,11,12)
InChIKeyWWTJVLSMMVQYNM-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
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 2-ethyl-7-iodo-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-ethyl-7-iodo-1H-imidazo[4,5-b]pyridine (CID 66890985) is 2-ethyl-7-iodo-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-ethyl-7-iodo-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-ethyl-7-iodo-1H-imidazo[4,5-b]pyridine is CCc1nc2nccc(I)c2[nH]1.
What is the InChIKey of 2-ethyl-7-iodo-1H-imidazo[4,5-b]pyridine?
The InChIKey is WWTJVLSMMVQYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8IN3/c1-2-6-11-7-5(9)3-4-10-8(7)12-6/h3-4H,2H2,1H3,(H,10,11,12).
What are the key properties of 2-ethyl-7-iodo-1H-imidazo[4,5-b]pyridine?
2-ethyl-7-iodo-1H-imidazo[4,5-b]pyridine has a molecular weight of 273.08 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-iodo-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 66890985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).