2-(4-ethylphenyl)-6-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid

C16H13FN2O2 — CID 82060679

IUPAC2-(4-ethylphenyl)-6-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCCc1ccc(-c2nc3ccc(F)cn3c2C(=O)O)cc1
InChIInChI=1S/C16H13FN2O2/c1-2-10-3-5-11(6-4-10)14-15(16(20)21)19-9-12(17)7-8-13(19)18-14/h3-9H,2H2,1H3,(H,20,21)
InChIKeyHHPAOYCWCBXOJH-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.40
Rot. Bonds3

About 2-(4-ethylphenyl)-6-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid

2-(4-ethylphenyl)-6-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 82060679) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-6-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethylphenyl)-6-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID82060679
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name2-(4-ethylphenyl)-6-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCCc1ccc(-c2nc3ccc(F)cn3c2C(=O)O)cc1
InChIInChI=1S/C16H13FN2O2/c1-2-10-3-5-11(6-4-10)14-15(16(20)21)19-9-12(17)7-8-13(19)18-14/h3-9H,2H2,1H3,(H,20,21)
InChIKeyHHPAOYCWCBXOJH-UHFFFAOYSA-N
XLogP3.40
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-6-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-ethylphenyl)-6-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid (CID 82060679) is 2-(4-ethylphenyl)-6-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-ethylphenyl)-6-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-ethylphenyl)-6-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid is CCc1ccc(-c2nc3ccc(F)cn3c2C(=O)O)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-6-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is HHPAOYCWCBXOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-2-10-3-5-11(6-4-10)14-15(16(20)21)19-9-12(17)7-8-13(19)18-14/h3-9H,2H2,1H3,(H,20,21).
What are the key properties of 2-(4-ethylphenyl)-6-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid?
2-(4-ethylphenyl)-6-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 284.29 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-6-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 82060679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).