2-[(3-bromopyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine

C12H14BrN3 — CID 80677191

IUPAC2-[(3-bromopyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine
SMILESBrC1CCN(Cc2cn3ccccc3n2)C1
InChIInChI=1S/C12H14BrN3/c13-10-4-6-15(7-10)8-11-9-16-5-2-1-3-12(16)14-11/h1-3,5,9-10H,4,6-8H2
InChIKeyDBZONEKTRYKMRP-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.30
Rot. Bonds2

About 2-[(3-bromopyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine

2-[(3-bromopyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine (PubChem CID 80677191) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 2-[(3-bromopyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[(3-bromopyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine
PubChem CID80677191
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name2-[(3-bromopyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine
SMILESBrC1CCN(Cc2cn3ccccc3n2)C1
InChIInChI=1S/C12H14BrN3/c13-10-4-6-15(7-10)8-11-9-16-5-2-1-3-12(16)14-11/h1-3,5,9-10H,4,6-8H2
InChIKeyDBZONEKTRYKMRP-UHFFFAOYSA-N
XLogP2.30
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-3-ol
CID 62918360
(3S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-3-amine
CID 129366305
[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpiperidin-3-yl]methanamine
CID 114959821
2-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 94920556
1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylic acid
CID 43385952
2-[(3-methyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine
CID 64859024
2-[(3-ethylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 64833998
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-propylpiperidin-4-amine
CID 60820487
2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 45366493
1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)morpholin-2-yl]ethanamine
CID 115314933
2-[(3-butan-2-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 64831720
ethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-4-carboxylate
CID 53171810

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromopyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[(3-bromopyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine (CID 80677191) is 2-[(3-bromopyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[(3-bromopyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[(3-bromopyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine is BrC1CCN(Cc2cn3ccccc3n2)C1.
What is the InChIKey of 2-[(3-bromopyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine?
The InChIKey is DBZONEKTRYKMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c13-10-4-6-15(7-10)8-11-9-16-5-2-1-3-12(16)14-11/h1-3,5,9-10H,4,6-8H2.
What are the key properties of 2-[(3-bromopyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine?
2-[(3-bromopyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine has a molecular weight of 280.17 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromopyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 80677191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).