3-fluoroimidazo[1,2-a]pyridine-2-carboxylic acid

C8H5FN2O2 — CID 5311906

IUPAC3-fluoroimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc2ccccn2c1F
InChIInChI=1S/C8H5FN2O2/c9-7-6(8(12)13)10-5-3-1-2-4-11(5)7/h1-4H,(H,12,13)
InChIKeyRPGXDJQIUNYMAG-UHFFFAOYSA-N
MW180.14 g/mol
LogP1.17
Rot. Bonds1

About 3-fluoroimidazo[1,2-a]pyridine-2-carboxylic acid

3-fluoroimidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 5311906) has the molecular formula C8H5FN2O2 and a molecular weight of 180.14 g/mol. Its IUPAC name is 3-fluoroimidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-fluoroimidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID5311906
Molecular FormulaC8H5FN2O2
Molecular Weight180.14 g/mol
Exact Mass180.03
IUPAC Name3-fluoroimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc2ccccn2c1F
InChIInChI=1S/C8H5FN2O2/c9-7-6(8(12)13)10-5-3-1-2-4-11(5)7/h1-4H,(H,12,13)
InChIKeyRPGXDJQIUNYMAG-UHFFFAOYSA-N
XLogP1.17
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoroimidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 3-fluoroimidazo[1,2-a]pyridine-2-carboxylic acid (CID 5311906) is 3-fluoroimidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-fluoroimidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 3-fluoroimidazo[1,2-a]pyridine-2-carboxylic acid is O=C(O)c1nc2ccccn2c1F.
What is the InChIKey of 3-fluoroimidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is RPGXDJQIUNYMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O2/c9-7-6(8(12)13)10-5-3-1-2-4-11(5)7/h1-4H,(H,12,13).
What are the key properties of 3-fluoroimidazo[1,2-a]pyridine-2-carboxylic acid?
3-fluoroimidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 180.14 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoroimidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 5311906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).