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

C7H9IN2 — CID 167216754

IUPAC8-iodo-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine
SMILESIC1=CC=CN2CCNC12
InChIInChI=1S/C7H9IN2/c8-6-2-1-4-10-5-3-9-7(6)10/h1-2,4,7,9H,3,5H2
InChIKeyNTMMEUXRZLSGIF-UHFFFAOYSA-N
MW248.07 g/mol
LogP1.06
Rot. Bonds

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

8-iodo-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine (PubChem CID 167216754) has the molecular formula C7H9IN2 and a molecular weight of 248.07 g/mol. Its IUPAC name is 8-iodo-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-iodo-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine
PubChem CID167216754
Molecular FormulaC7H9IN2
Molecular Weight248.07 g/mol
Exact Mass247.98
IUPAC Name8-iodo-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine
SMILESIC1=CC=CN2CCNC12
InChIInChI=1S/C7H9IN2/c8-6-2-1-4-10-5-3-9-7(6)10/h1-2,4,7,9H,3,5H2
InChIKeyNTMMEUXRZLSGIF-UHFFFAOYSA-N
XLogP1.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.07
LogP ≤ 51.06
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 8-iodo-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine?
The IUPAC name of 8-iodo-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine (CID 167216754) is 8-iodo-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 8-iodo-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine?
The canonical SMILES for 8-iodo-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine is IC1=CC=CN2CCNC12.
What is the InChIKey of 8-iodo-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine?
The InChIKey is NTMMEUXRZLSGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2/c8-6-2-1-4-10-5-3-9-7(6)10/h1-2,4,7,9H,3,5H2.
What are the key properties of 8-iodo-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine?
8-iodo-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine has a molecular weight of 248.07 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-iodo-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 167216754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).