6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid

C9H5F3N2O2 — CID 27282729

IUPAC6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1cn2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C9H5F3N2O2/c10-9(11,12)5-1-2-7-13-6(8(15)16)4-14(7)3-5/h1-4H,(H,15,16)
InChIKeyKASXDWUVBQTSFN-UHFFFAOYSA-N
MW230.15 g/mol
LogP2.05
Rot. Bonds1

About 6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid

6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 27282729) has the molecular formula C9H5F3N2O2 and a molecular weight of 230.15 g/mol. Its IUPAC name is 6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID27282729
Molecular FormulaC9H5F3N2O2
Molecular Weight230.15 g/mol
Exact Mass230.03
IUPAC Name6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1cn2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C9H5F3N2O2/c10-9(11,12)5-1-2-7-13-6(8(15)16)4-14(7)3-5/h1-4H,(H,15,16)
InChIKeyKASXDWUVBQTSFN-UHFFFAOYSA-N
XLogP2.05
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid (CID 27282729) is 6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid is O=C(O)c1cn2cc(C(F)(F)F)ccc2n1.
What is the InChIKey of 6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is KASXDWUVBQTSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O2/c10-9(11,12)5-1-2-7-13-6(8(15)16)4-14(7)3-5/h1-4H,(H,15,16).
What are the key properties of 6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 230.15 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 27282729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).