6-ethynylimidazo[1,2-a]pyridine-3-carbonitrile

C10H5N3 — CID 155787607

IUPAC6-ethynylimidazo[1,2-a]pyridine-3-carbonitrile
SMILESC#Cc1ccc2ncc(C#N)n2c1
InChIInChI=1S/C10H5N3/c1-2-8-3-4-10-12-6-9(5-11)13(10)7-8/h1,3-4,6-7H
InChIKeySRYMJPYOPHOWBC-UHFFFAOYSA-N
MW167.17 g/mol
LogP1.19
Rot. Bonds

About 6-ethynylimidazo[1,2-a]pyridine-3-carbonitrile

6-ethynylimidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 155787607) has the molecular formula C10H5N3 and a molecular weight of 167.17 g/mol. Its IUPAC name is 6-ethynylimidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-ethynylimidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID155787607
Molecular FormulaC10H5N3
Molecular Weight167.17 g/mol
Exact Mass167.05
IUPAC Name6-ethynylimidazo[1,2-a]pyridine-3-carbonitrile
SMILESC#Cc1ccc2ncc(C#N)n2c1
InChIInChI=1S/C10H5N3/c1-2-8-3-4-10-12-6-9(5-11)13(10)7-8/h1,3-4,6-7H
InChIKeySRYMJPYOPHOWBC-UHFFFAOYSA-N
XLogP1.19
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 6-ethynylimidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 6-ethynylimidazo[1,2-a]pyridine-3-carbonitrile (CID 155787607) is 6-ethynylimidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-ethynylimidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-ethynylimidazo[1,2-a]pyridine-3-carbonitrile is C#Cc1ccc2ncc(C#N)n2c1.
What is the InChIKey of 6-ethynylimidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is SRYMJPYOPHOWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5N3/c1-2-8-3-4-10-12-6-9(5-11)13(10)7-8/h1,3-4,6-7H.
What are the key properties of 6-ethynylimidazo[1,2-a]pyridine-3-carbonitrile?
6-ethynylimidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 167.17 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethynylimidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 155787607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).