2-(2,2,2-trifluoroethylamino)imidazo[1,2-a]pyridine-3-carboxylic acid

C10H8F3N3O2 — CID 61358540

IUPAC2-(2,2,2-trifluoroethylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(NCC(F)(F)F)nc2ccccn12
InChIInChI=1S/C10H8F3N3O2/c11-10(12,13)5-14-8-7(9(17)18)16-4-2-1-3-6(16)15-8/h1-4,14H,5H2,(H,17,18)
InChIKeyFFHRVCQAKMHHFD-UHFFFAOYSA-N
MW259.19 g/mol
LogP2.01
Rot. Bonds3

About 2-(2,2,2-trifluoroethylamino)imidazo[1,2-a]pyridine-3-carboxylic acid

2-(2,2,2-trifluoroethylamino)imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 61358540) has the molecular formula C10H8F3N3O2 and a molecular weight of 259.19 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylamino)imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID61358540
Molecular FormulaC10H8F3N3O2
Molecular Weight259.19 g/mol
Exact Mass259.06
IUPAC Name2-(2,2,2-trifluoroethylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(NCC(F)(F)F)nc2ccccn12
InChIInChI=1S/C10H8F3N3O2/c11-10(12,13)5-14-8-7(9(17)18)16-4-2-1-3-6(16)15-8/h1-4,14H,5H2,(H,17,18)
InChIKeyFFHRVCQAKMHHFD-UHFFFAOYSA-N
XLogP2.01
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylamino)imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-(2,2,2-trifluoroethylamino)imidazo[1,2-a]pyridine-3-carboxylic acid (CID 61358540) is 2-(2,2,2-trifluoroethylamino)imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2,2,2-trifluoroethylamino)imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2,2,2-trifluoroethylamino)imidazo[1,2-a]pyridine-3-carboxylic acid is O=C(O)c1c(NCC(F)(F)F)nc2ccccn12.
What is the InChIKey of 2-(2,2,2-trifluoroethylamino)imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is FFHRVCQAKMHHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2/c11-10(12,13)5-14-8-7(9(17)18)16-4-2-1-3-6(16)15-8/h1-4,14H,5H2,(H,17,18).
What are the key properties of 2-(2,2,2-trifluoroethylamino)imidazo[1,2-a]pyridine-3-carboxylic acid?
2-(2,2,2-trifluoroethylamino)imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 259.19 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylamino)imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 61358540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).