1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium iodide

C7H11IN2 — CID 139030563

IUPAC1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium iodide
SMILESC1=CCN2CC[NH2+]C2=C1.[I-]
InChIInChI=1S/C7H10N2.HI/c1-2-5-9-6-4-8-7(9)3-1;/h1-3,8H,4-6H2;1H
InChIKeySFLBMXJHCMDXCR-UHFFFAOYSA-N
MW250.08 g/mol
LogP-3.72
Rot. Bonds

About 1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium iodide

1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium iodide (PubChem CID 139030563) has the molecular formula C7H11IN2 and a molecular weight of 250.08 g/mol. Its IUPAC name is 1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium iodide.

Molecular Properties

Compound Name1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium iodide
PubChem CID139030563
Molecular FormulaC7H11IN2
Molecular Weight250.08 g/mol
Exact Mass250.00
IUPAC Name1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium iodide
SMILESC1=CCN2CC[NH2+]C2=C1.[I-]
InChIInChI=1S/C7H10N2.HI/c1-2-5-9-6-4-8-7(9)3-1;/h1-3,8H,4-6H2;1H
InChIKeySFLBMXJHCMDXCR-UHFFFAOYSA-N
XLogP-3.72
TPSA19.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.08
LogP ≤ 5-3.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium iodide?
The IUPAC name of 1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium iodide (CID 139030563) is 1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium iodide.
What is the SMILES notation for 1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium iodide?
The canonical SMILES for 1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium iodide is C1=CCN2CC[NH2+]C2=C1.[I-].
What is the InChIKey of 1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium iodide?
The InChIKey is SFLBMXJHCMDXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.HI/c1-2-5-9-6-4-8-7(9)3-1;/h1-3,8H,4-6H2;1H.
What are the key properties of 1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium iodide?
1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium iodide has a molecular weight of 250.08 g/mol, XLogP of -3.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium iodide is sourced from PubChem (CID 139030563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).