8-bromo-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine

C12H13BrN2O — CID 117136060

IUPAC8-bromo-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine
SMILESBrc1cccn2cc(CC3CCOC3)nc12
InChIInChI=1S/C12H13BrN2O/c13-11-2-1-4-15-7-10(14-12(11)15)6-9-3-5-16-8-9/h1-2,4,7,9H,3,5-6,8H2
InChIKeySVFKXVBBHRVLCL-UHFFFAOYSA-N
MW281.15 g/mol
LogP2.68
Rot. Bonds2

About 8-bromo-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine

8-bromo-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine (PubChem CID 117136060) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 8-bromo-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-bromo-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine
PubChem CID117136060
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name8-bromo-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine
SMILESBrc1cccn2cc(CC3CCOC3)nc12
InChIInChI=1S/C12H13BrN2O/c13-11-2-1-4-15-7-10(14-12(11)15)6-9-3-5-16-8-9/h1-2,4,7,9H,3,5-6,8H2
InChIKeySVFKXVBBHRVLCL-UHFFFAOYSA-N
XLogP2.68
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine
CID 117136059
8-chloro-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine
CID 117136187
8-methoxy-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine
CID 117136142
8-bromo-2-(thian-3-ylmethyl)imidazo[1,2-a]pyridine
CID 117136980
6-chloro-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine
CID 117129074
2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde
CID 117133746
2-(8-bromoimidazo[1,2-a]pyridin-2-yl)ethanol
CID 115044020
8-bromo-2-(methylsulfanylmethyl)imidazo[1,2-a]pyridine
CID 117256707
2-[[(3R)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 163213817
8-bromo-2-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyridine
CID 117137365
8-fluoro-2-(piperidin-4-ylmethyl)imidazo[1,2-a]pyridine
CID 105492803
8-methyl-2-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine
CID 117136212

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 8-bromo-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine (CID 117136060) is 8-bromo-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 8-bromo-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 8-bromo-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine is Brc1cccn2cc(CC3CCOC3)nc12.
What is the InChIKey of 8-bromo-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is SVFKXVBBHRVLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c13-11-2-1-4-15-7-10(14-12(11)15)6-9-3-5-16-8-9/h1-2,4,7,9H,3,5-6,8H2.
What are the key properties of 8-bromo-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine?
8-bromo-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 281.15 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 117136060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).