5-bromo-3-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyridine

C13H10BrN3O — CID 117255959

IUPAC5-bromo-3-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyridine
SMILESBrc1cccc2ncc(COc3cccnc3)n12
InChIInChI=1S/C13H10BrN3O/c14-12-4-1-5-13-16-7-10(17(12)13)9-18-11-3-2-6-15-8-11/h1-8H,9H2
InChIKeyVIRAOSAHQRULAQ-UHFFFAOYSA-N
MW304.15 g/mol
LogP3.07
Rot. Bonds3

About 5-bromo-3-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyridine

5-bromo-3-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyridine (PubChem CID 117255959) has the molecular formula C13H10BrN3O and a molecular weight of 304.15 g/mol. Its IUPAC name is 5-bromo-3-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name5-bromo-3-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyridine
PubChem CID117255959
Molecular FormulaC13H10BrN3O
Molecular Weight304.15 g/mol
Exact Mass303.00
IUPAC Name5-bromo-3-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyridine
SMILESBrc1cccc2ncc(COc3cccnc3)n12
InChIInChI=1S/C13H10BrN3O/c14-12-4-1-5-13-16-7-10(17(12)13)9-18-11-3-2-6-15-8-11/h1-8H,9H2
InChIKeyVIRAOSAHQRULAQ-UHFFFAOYSA-N
XLogP3.07
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromoimidazo[1,2-a]pyridin-3-yl)-N,N-dimethylmethanamine
CID 117255863
3-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridin-5-amine
CID 117255925
5-chloro-2-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyridine
CID 117255772
3-(furan-3-ylmethoxy)pyridine
CID 112558860
7-fluoro-1-methyl-2-(pyridin-3-yloxymethyl)indole
CID 117183745
3-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117256022
2-(pyridin-3-yloxymethyl)-1-benzofuran-7-ol
CID 117182846
6-bromo-3-(phenoxymethyl)imidazo[1,2-a]pyridine
CID 117256189
3-[(3-fluorophenyl)methoxy]pyridine
CID 18758418
2-(pyridin-3-yloxymethyl)-1,3-oxazole
CID 54003976
3-[(4-methylphenyl)methoxy]pyridine
CID 58445986
5-bromo-3-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117256997

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 5-bromo-3-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyridine (CID 117255959) is 5-bromo-3-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 5-bromo-3-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 5-bromo-3-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyridine is Brc1cccc2ncc(COc3cccnc3)n12.
What is the InChIKey of 5-bromo-3-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyridine?
The InChIKey is VIRAOSAHQRULAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O/c14-12-4-1-5-13-16-7-10(17(12)13)9-18-11-3-2-6-15-8-11/h1-8H,9H2.
What are the key properties of 5-bromo-3-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyridine?
5-bromo-3-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyridine has a molecular weight of 304.15 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 117255959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).