3-(bromomethyl)-2-(2-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine

C13H16BrN3 — CID 107080729

IUPAC3-(bromomethyl)-2-(2-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine
SMILESCC1CCCN1c1nc2ccccn2c1CBr
InChIInChI=1S/C13H16BrN3/c1-10-5-4-8-16(10)13-11(9-14)17-7-3-2-6-12(17)15-13/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKeySSRRAMPDVNBZAS-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.22
Rot. Bonds2

About 3-(bromomethyl)-2-(2-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine

3-(bromomethyl)-2-(2-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine (PubChem CID 107080729) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 3-(bromomethyl)-2-(2-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(bromomethyl)-2-(2-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine
PubChem CID107080729
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name3-(bromomethyl)-2-(2-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine
SMILESCC1CCCN1c1nc2ccccn2c1CBr
InChIInChI=1S/C13H16BrN3/c1-10-5-4-8-16(10)13-11(9-14)17-7-3-2-6-12(17)15-13/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKeySSRRAMPDVNBZAS-UHFFFAOYSA-N
XLogP3.22
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.22
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

3-(chloromethyl)-2-(2-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine
CID 54882666
2-methyl-N-[[2-(2-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]propan-2-amine
CID 63060051
4-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-3-methylthiomorpholine
CID 107083855
4-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 107085444
3-(bromomethyl)-2-(3,4-dimethylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 107083505
3-(bromomethyl)-2-(4-methylsulfanylpiperidin-1-yl)imidazo[1,2-a]pyridine
CID 114237430
1-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylpiperidin-4-amine
CID 107080536
3-(bromomethyl)-2-(4-methoxypiperidin-1-yl)imidazo[1,2-a]pyridine
CID 107080186
4-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-2-methyl-1,4-oxazepane
CID 107082957
N-[[2-(2,3-dimethylpiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine
CID 62124835
3-(bromomethyl)-2-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridine
CID 107079661
[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 65320030

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-2-(2-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(bromomethyl)-2-(2-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine (CID 107080729) is 3-(bromomethyl)-2-(2-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(bromomethyl)-2-(2-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(bromomethyl)-2-(2-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine is CC1CCCN1c1nc2ccccn2c1CBr.
What is the InChIKey of 3-(bromomethyl)-2-(2-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine?
The InChIKey is SSRRAMPDVNBZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-10-5-4-8-16(10)13-11(9-14)17-7-3-2-6-12(17)15-13/h2-3,6-7,10H,4-5,8-9H2,1H3.
What are the key properties of 3-(bromomethyl)-2-(2-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine?
3-(bromomethyl)-2-(2-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine has a molecular weight of 294.20 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-2-(2-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 107080729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).