3-ethynylimidazo[1,2-a]pyridine

C9H6N2 — CID 46838759

IUPAC3-ethynylimidazo[1,2-a]pyridine
SMILESC#Cc1cnc2ccccn12
InChIInChI=1S/C9H6N2/c1-2-8-7-10-9-5-3-4-6-11(8)9/h1,3-7H
InChIKeyFBTDPECEFKOJQL-UHFFFAOYSA-N
MW142.16 g/mol
LogP1.32
Rot. Bonds

About 3-ethynylimidazo[1,2-a]pyridine

3-ethynylimidazo[1,2-a]pyridine (PubChem CID 46838759) has the molecular formula C9H6N2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 3-ethynylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-ethynylimidazo[1,2-a]pyridine
PubChem CID46838759
Molecular FormulaC9H6N2
Molecular Weight142.16 g/mol
Exact Mass142.05
IUPAC Name3-ethynylimidazo[1,2-a]pyridine
SMILESC#Cc1cnc2ccccn12
InChIInChI=1S/C9H6N2/c1-2-8-7-10-9-5-3-4-6-11(8)9/h1,3-7H
InChIKeyFBTDPECEFKOJQL-UHFFFAOYSA-N
XLogP1.32
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethynylimidazo[1,2-a]pyridine?
The IUPAC name of 3-ethynylimidazo[1,2-a]pyridine (CID 46838759) is 3-ethynylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-ethynylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-ethynylimidazo[1,2-a]pyridine is C#Cc1cnc2ccccn12.
What is the InChIKey of 3-ethynylimidazo[1,2-a]pyridine?
The InChIKey is FBTDPECEFKOJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2/c1-2-8-7-10-9-5-3-4-6-11(8)9/h1,3-7H.
What are the key properties of 3-ethynylimidazo[1,2-a]pyridine?
3-ethynylimidazo[1,2-a]pyridine has a molecular weight of 142.16 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynylimidazo[1,2-a]pyridine is sourced from PubChem (CID 46838759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).