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

C8H11Br3N2 — CID 139030588

IUPAC2-bromo-2-(bromomethyl)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide
SMILESBrCC1(Br)CN2CC=CC=C2[NH2+]1.[Br-]
InChIInChI=1S/C8H10Br2N2.BrH/c9-5-8(10)6-12-4-2-1-3-7(12)11-8;/h1-3,11H,4-6H2;1H
InChIKeyADNSPZRIROHRPL-UHFFFAOYSA-N
MW374.90 g/mol
LogP-2.23
Rot. Bonds1

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

2-bromo-2-(bromomethyl)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide (PubChem CID 139030588) has the molecular formula C8H11Br3N2 and a molecular weight of 374.90 g/mol. Its IUPAC name is 2-bromo-2-(bromomethyl)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide.

Molecular Properties

Compound Name2-bromo-2-(bromomethyl)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide
PubChem CID139030588
Molecular FormulaC8H11Br3N2
Molecular Weight374.90 g/mol
Exact Mass371.85
IUPAC Name2-bromo-2-(bromomethyl)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide
SMILESBrCC1(Br)CN2CC=CC=C2[NH2+]1.[Br-]
InChIInChI=1S/C8H10Br2N2.BrH/c9-5-8(10)6-12-4-2-1-3-7(12)11-8;/h1-3,11H,4-6H2;1H
InChIKeyADNSPZRIROHRPL-UHFFFAOYSA-N
XLogP-2.23
TPSA19.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.90
LogP ≤ 5-2.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(bromomethyl)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide?
The IUPAC name of 2-bromo-2-(bromomethyl)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide (CID 139030588) is 2-bromo-2-(bromomethyl)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide.
What is the SMILES notation for 2-bromo-2-(bromomethyl)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide?
The canonical SMILES for 2-bromo-2-(bromomethyl)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide is BrCC1(Br)CN2CC=CC=C2[NH2+]1.[Br-].
What is the InChIKey of 2-bromo-2-(bromomethyl)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide?
The InChIKey is ADNSPZRIROHRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Br2N2.BrH/c9-5-8(10)6-12-4-2-1-3-7(12)11-8;/h1-3,11H,4-6H2;1H.
What are the key properties of 2-bromo-2-(bromomethyl)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide?
2-bromo-2-(bromomethyl)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide has a molecular weight of 374.90 g/mol, XLogP of -2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-(bromomethyl)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide is sourced from PubChem (CID 139030588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).