2-(bromomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium bromide

C8H12Br2N2 — CID 139030574

IUPAC2-(bromomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium bromide
SMILESBrCC1CN2CC=CC=C2[NH2+]1.[Br-]
InChIInChI=1S/C8H11BrN2.BrH/c9-5-7-6-11-4-2-1-3-8(11)10-7;/h1-3,7,10H,4-6H2;1H
InChIKeyARQFZFQCGFOOLA-UHFFFAOYSA-N
MW296.01 g/mol
LogP-2.96
Rot. Bonds1

About 2-(bromomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium bromide

2-(bromomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium bromide (PubChem CID 139030574) has the molecular formula C8H12Br2N2 and a molecular weight of 296.01 g/mol. Its IUPAC name is 2-(bromomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium bromide.

Molecular Properties

Compound Name2-(bromomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium bromide
PubChem CID139030574
Molecular FormulaC8H12Br2N2
Molecular Weight296.01 g/mol
Exact Mass293.94
IUPAC Name2-(bromomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium bromide
SMILESBrCC1CN2CC=CC=C2[NH2+]1.[Br-]
InChIInChI=1S/C8H11BrN2.BrH/c9-5-7-6-11-4-2-1-3-8(11)10-7;/h1-3,7,10H,4-6H2;1H
InChIKeyARQFZFQCGFOOLA-UHFFFAOYSA-N
XLogP-2.96
TPSA19.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.01
LogP ≤ 5-2.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium bromide?
The IUPAC name of 2-(bromomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium bromide (CID 139030574) is 2-(bromomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium bromide.
What is the SMILES notation for 2-(bromomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium bromide?
The canonical SMILES for 2-(bromomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium bromide is BrCC1CN2CC=CC=C2[NH2+]1.[Br-].
What is the InChIKey of 2-(bromomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium bromide?
The InChIKey is ARQFZFQCGFOOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2.BrH/c9-5-7-6-11-4-2-1-3-8(11)10-7;/h1-3,7,10H,4-6H2;1H.
What are the key properties of 2-(bromomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium bromide?
2-(bromomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium bromide has a molecular weight of 296.01 g/mol, XLogP of -2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium bromide is sourced from PubChem (CID 139030574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).