2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde

C13H14N2O2 — CID 117133746

IUPAC2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde
SMILESO=Cc1ccn2cc(CC3CCOC3)nc2c1
InChIInChI=1S/C13H14N2O2/c16-8-10-1-3-15-7-12(14-13(15)6-10)5-11-2-4-17-9-11/h1,3,6-8,11H,2,4-5,9H2
InChIKeyYSVWUCVMLFQAFX-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.73
Rot. Bonds3

About 2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde

2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde (PubChem CID 117133746) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde.

Molecular Properties

Compound Name2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde
PubChem CID117133746
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde
SMILESO=Cc1ccn2cc(CC3CCOC3)nc2c1
InChIInChI=1S/C13H14N2O2/c16-8-10-1-3-15-7-12(14-13(15)6-10)5-11-2-4-17-9-11/h1,3,6-8,11H,2,4-5,9H2
InChIKeyYSVWUCVMLFQAFX-UHFFFAOYSA-N
XLogP1.73
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carbaldehyde
CID 117133885
7-chloro-2-(oxan-3-ylmethyl)imidazo[1,2-a]pyridine
CID 117134668
7-methyl-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine
CID 117133889
2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde
CID 117134530
6-chloro-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine
CID 117129074
2-[[(3R)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 163213817
2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine-7-carbaldehyde
CID 117135256
2-benzylimidazo[1,2-a]pyridine-7-carbaldehyde
CID 117134926
8-bromo-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine
CID 117136060
8-chloro-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine
CID 117136059
4-(oxolan-3-ylmethyl)benzaldehyde
CID 105444209
2-(thian-2-yl)imidazo[1,2-a]pyridine-7-carbaldehyde
CID 117134266

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde?
The IUPAC name of 2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde (CID 117133746) is 2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde.
What is the SMILES notation for 2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde?
The canonical SMILES for 2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde is O=Cc1ccn2cc(CC3CCOC3)nc2c1.
What is the InChIKey of 2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde?
The InChIKey is YSVWUCVMLFQAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-8-10-1-3-15-7-12(14-13(15)6-10)5-11-2-4-17-9-11/h1,3,6-8,11H,2,4-5,9H2.
What are the key properties of 2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde?
2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde has a molecular weight of 230.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde is sourced from PubChem (CID 117133746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).