2-(iodomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridine

C8H11IN2 — CID 139030579

IUPAC2-(iodomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridine
SMILESICC1CN2CC=CC=C2N1
InChIInChI=1S/C8H11IN2/c9-5-7-6-11-4-2-1-3-8(11)10-7/h1-3,7,10H,4-6H2
InChIKeyQAPNXGMVSCEAEZ-UHFFFAOYSA-N
MW262.09 g/mol
LogP1.11
Rot. Bonds1

About 2-(iodomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridine

2-(iodomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridine (PubChem CID 139030579) has the molecular formula C8H11IN2 and a molecular weight of 262.09 g/mol. Its IUPAC name is 2-(iodomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(iodomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridine
PubChem CID139030579
Molecular FormulaC8H11IN2
Molecular Weight262.09 g/mol
Exact Mass262.00
IUPAC Name2-(iodomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridine
SMILESICC1CN2CC=CC=C2N1
InChIInChI=1S/C8H11IN2/c9-5-7-6-11-4-2-1-3-8(11)10-7/h1-3,7,10H,4-6H2
InChIKeyQAPNXGMVSCEAEZ-UHFFFAOYSA-N
XLogP1.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 51.11
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 2-(iodomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridine?
The IUPAC name of 2-(iodomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridine (CID 139030579) is 2-(iodomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(iodomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(iodomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridine is ICC1CN2CC=CC=C2N1.
What is the InChIKey of 2-(iodomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridine?
The InChIKey is QAPNXGMVSCEAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN2/c9-5-7-6-11-4-2-1-3-8(11)10-7/h1-3,7,10H,4-6H2.
What are the key properties of 2-(iodomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridine?
2-(iodomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridine has a molecular weight of 262.09 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 139030579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).