5-[2-(bromomethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine

C12H14BrN3 — CID 102627084

IUPAC5-[2-(bromomethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine
SMILESBrCC1CCCN1c1cccc2nccn12
InChIInChI=1S/C12H14BrN3/c13-9-10-3-2-7-15(10)12-5-1-4-11-14-6-8-16(11)12/h1,4-6,8,10H,2-3,7,9H2
InChIKeyVCSZZZXULJOSHF-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.70
Rot. Bonds2

About 5-[2-(bromomethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine

5-[2-(bromomethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine (PubChem CID 102627084) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 5-[2-(bromomethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name5-[2-(bromomethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine
PubChem CID102627084
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name5-[2-(bromomethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine
SMILESBrCC1CCCN1c1cccc2nccn12
InChIInChI=1S/C12H14BrN3/c13-9-10-3-2-7-15(10)12-5-1-4-11-14-6-8-16(11)12/h1,4-6,8,10H,2-3,7,9H2
InChIKeyVCSZZZXULJOSHF-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
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-5-yl-4-methylpiperidin-2-yl)methanamine
CID 103442281
(4-ethyl-1-imidazo[1,2-a]pyridin-5-ylpiperidin-2-yl)methanamine
CID 103353570
N-[(1-imidazo[1,2-a]pyridin-5-ylpiperidin-3-yl)methyl]cyclopropanamine
CID 102626977
3-[2-(bromomethyl)pyrrolidin-1-yl]pyridazine
CID 80668055
5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 141140259
2-(1-imidazo[1,2-a]pyridin-5-ylpiperidin-4-yl)-N-methylethanamine
CID 102626099
N-[(1-imidazo[1,2-a]pyridin-5-ylpiperidin-4-yl)methyl]-2-methylpropan-2-amine
CID 102626956
(4-imidazo[1,2-a]pyridin-5-yl-5-methylmorpholin-2-yl)methanol
CID 102626635
5-(bromomethyl)imidazo[1,2-a]pyridine;hydrobromide
CID 121232171
2-[2-(bromomethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine
CID 80668053
1-imidazo[1,2-a]pyridin-5-ylpiperidin-3-one
CID 102625213
5-[2-(bromomethyl)pyrrolidin-1-yl]-1-methyltriazole
CID 130487103

Frequently Asked Questions

What is the IUPAC name of 5-[2-(bromomethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 5-[2-(bromomethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine (CID 102627084) is 5-[2-(bromomethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 5-[2-(bromomethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 5-[2-(bromomethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine is BrCC1CCCN1c1cccc2nccn12.
What is the InChIKey of 5-[2-(bromomethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine?
The InChIKey is VCSZZZXULJOSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c13-9-10-3-2-7-15(10)12-5-1-4-11-14-6-8-16(11)12/h1,4-6,8,10H,2-3,7,9H2.
What are the key properties of 5-[2-(bromomethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine?
5-[2-(bromomethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine has a molecular weight of 280.17 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(bromomethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 102627084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).