2-(1,3-benzodioxol-5-yloxy)-3-(bromomethyl)imidazo[1,2-a]pyridine

C15H11BrN2O3 — CID 107086400

IUPAC2-(1,3-benzodioxol-5-yloxy)-3-(bromomethyl)imidazo[1,2-a]pyridine
SMILESBrCc1c(Oc2ccc3c(c2)OCO3)nc2ccccn12
InChIInChI=1S/C15H11BrN2O3/c16-8-11-15(17-14-3-1-2-6-18(11)14)21-10-4-5-12-13(7-10)20-9-19-12/h1-7H,8-9H2
InChIKeyLPXXDXHICTYQTA-UHFFFAOYSA-N
MW347.17 g/mol
LogP3.75
Rot. Bonds3

About 2-(1,3-benzodioxol-5-yloxy)-3-(bromomethyl)imidazo[1,2-a]pyridine

2-(1,3-benzodioxol-5-yloxy)-3-(bromomethyl)imidazo[1,2-a]pyridine (PubChem CID 107086400) has the molecular formula C15H11BrN2O3 and a molecular weight of 347.17 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-3-(bromomethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-3-(bromomethyl)imidazo[1,2-a]pyridine
PubChem CID107086400
Molecular FormulaC15H11BrN2O3
Molecular Weight347.17 g/mol
Exact Mass346.00
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-3-(bromomethyl)imidazo[1,2-a]pyridine
SMILESBrCc1c(Oc2ccc3c(c2)OCO3)nc2ccccn12
InChIInChI=1S/C15H11BrN2O3/c16-8-11-15(17-14-3-1-2-6-18(11)14)21-10-4-5-12-13(7-10)20-9-19-12/h1-7H,8-9H2
InChIKeyLPXXDXHICTYQTA-UHFFFAOYSA-N
XLogP3.75
TPSA44.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(bromomethyl)-2-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyridine
CID 107088563
3-(bromomethyl)-2-(4-chloro-3,5-dimethylphenoxy)imidazo[1,2-a]pyridine
CID 107087710
3-(bromomethyl)-2-(5-bromo-2-methylphenoxy)imidazo[1,2-a]pyridine
CID 107284968
[2-(3,4-dimethylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 43478684
2-(1,3-benzodioxol-5-yloxy)-3,5,6-trichloropyridine
CID 113222181
[2-(3-methoxyphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 43478666
[2-(3-fluoro-4-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 107169942
2-(1,3-benzodioxol-5-yloxy)-5-(bromomethyl)pyrimidine
CID 107086399
2-(3-bromo-5-fluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine
CID 81331656
(5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[2-(4-bromophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 46299521
2-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]oxy-6-fluorobenzonitrile
CID 107087798
N-methyl-1-[2-(3-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 43478688

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-3-(bromomethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-3-(bromomethyl)imidazo[1,2-a]pyridine (CID 107086400) is 2-(1,3-benzodioxol-5-yloxy)-3-(bromomethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-3-(bromomethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-3-(bromomethyl)imidazo[1,2-a]pyridine is BrCc1c(Oc2ccc3c(c2)OCO3)nc2ccccn12.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-3-(bromomethyl)imidazo[1,2-a]pyridine?
The InChIKey is LPXXDXHICTYQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O3/c16-8-11-15(17-14-3-1-2-6-18(11)14)21-10-4-5-12-13(7-10)20-9-19-12/h1-7H,8-9H2.
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-3-(bromomethyl)imidazo[1,2-a]pyridine?
2-(1,3-benzodioxol-5-yloxy)-3-(bromomethyl)imidazo[1,2-a]pyridine has a molecular weight of 347.17 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-3-(bromomethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 107086400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).