7-(2-phenylethynyl)imidazo[1,2-a]pyridine-2-carboxylic acid

C16H10N2O2 — CID 68667204

IUPAC7-(2-phenylethynyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1cn2ccc(C#Cc3ccccc3)cc2n1
InChIInChI=1S/C16H10N2O2/c19-16(20)14-11-18-9-8-13(10-15(18)17-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H,(H,19,20)
InChIKeyKQIQUVHCBIWSLG-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.43
Rot. Bonds1

About 7-(2-phenylethynyl)imidazo[1,2-a]pyridine-2-carboxylic acid

7-(2-phenylethynyl)imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 68667204) has the molecular formula C16H10N2O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 7-(2-phenylethynyl)imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-(2-phenylethynyl)imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID68667204
Molecular FormulaC16H10N2O2
Molecular Weight262.27 g/mol
Exact Mass262.07
IUPAC Name7-(2-phenylethynyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1cn2ccc(C#Cc3ccccc3)cc2n1
InChIInChI=1S/C16H10N2O2/c19-16(20)14-11-18-9-8-13(10-15(18)17-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H,(H,19,20)
InChIKeyKQIQUVHCBIWSLG-UHFFFAOYSA-N
XLogP2.43
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.43
H-Bond Donors ≤ 51
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 7-(2-phenylethynyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 7-(2-phenylethynyl)imidazo[1,2-a]pyridine-2-carboxylic acid (CID 68667204) is 7-(2-phenylethynyl)imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 7-(2-phenylethynyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 7-(2-phenylethynyl)imidazo[1,2-a]pyridine-2-carboxylic acid is O=C(O)c1cn2ccc(C#Cc3ccccc3)cc2n1.
What is the InChIKey of 7-(2-phenylethynyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is KQIQUVHCBIWSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O2/c19-16(20)14-11-18-9-8-13(10-15(18)17-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H,(H,19,20).
What are the key properties of 7-(2-phenylethynyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
7-(2-phenylethynyl)imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 262.27 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-phenylethynyl)imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 68667204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).