2-(bromomethyl)-2-methyl-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide

C9H14Br2N2 — CID 139030583

IUPAC2-(bromomethyl)-2-methyl-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide
SMILESCC1(CBr)CN2CC=CC=C2[NH2+]1.[Br-]
InChIInChI=1S/C9H13BrN2.BrH/c1-9(6-10)7-12-5-3-2-4-8(12)11-9;/h2-4,11H,5-7H2,1H3;1H
InChIKeyOOWHTSHLQBNHPX-UHFFFAOYSA-N
MW310.03 g/mol
LogP-2.57
Rot. Bonds1

About 2-(bromomethyl)-2-methyl-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide

2-(bromomethyl)-2-methyl-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide (PubChem CID 139030583) has the molecular formula C9H14Br2N2 and a molecular weight of 310.03 g/mol. Its IUPAC name is 2-(bromomethyl)-2-methyl-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide.

Molecular Properties

Compound Name2-(bromomethyl)-2-methyl-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide
PubChem CID139030583
Molecular FormulaC9H14Br2N2
Molecular Weight310.03 g/mol
Exact Mass307.95
IUPAC Name2-(bromomethyl)-2-methyl-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide
SMILESCC1(CBr)CN2CC=CC=C2[NH2+]1.[Br-]
InChIInChI=1S/C9H13BrN2.BrH/c1-9(6-10)7-12-5-3-2-4-8(12)11-9;/h2-4,11H,5-7H2,1H3;1H
InChIKeyOOWHTSHLQBNHPX-UHFFFAOYSA-N
XLogP-2.57
TPSA19.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.03
LogP ≤ 5-2.57
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)-2-methyl-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide?
The IUPAC name of 2-(bromomethyl)-2-methyl-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide (CID 139030583) is 2-(bromomethyl)-2-methyl-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide.
What is the SMILES notation for 2-(bromomethyl)-2-methyl-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide?
The canonical SMILES for 2-(bromomethyl)-2-methyl-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide is CC1(CBr)CN2CC=CC=C2[NH2+]1.[Br-].
What is the InChIKey of 2-(bromomethyl)-2-methyl-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide?
The InChIKey is OOWHTSHLQBNHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2.BrH/c1-9(6-10)7-12-5-3-2-4-8(12)11-9;/h2-4,11H,5-7H2,1H3;1H.
What are the key properties of 2-(bromomethyl)-2-methyl-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide?
2-(bromomethyl)-2-methyl-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide has a molecular weight of 310.03 g/mol, XLogP of -2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-2-methyl-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide is sourced from PubChem (CID 139030583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).