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

C9H5F3N2O2 — CID 71280482

IUPAC7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc2cc(C(F)(F)F)ccn12
InChIInChI=1S/C9H5F3N2O2/c10-9(11,12)5-1-2-14-6(8(15)16)4-13-7(14)3-5/h1-4H,(H,15,16)
InChIKeyRHHUSYUSMKAMKB-UHFFFAOYSA-N
MW230.15 g/mol
LogP2.05
Rot. Bonds1

About 7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid

7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 71280482) has the molecular formula C9H5F3N2O2 and a molecular weight of 230.15 g/mol. Its IUPAC name is 7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID71280482
Molecular FormulaC9H5F3N2O2
Molecular Weight230.15 g/mol
Exact Mass230.03
IUPAC Name7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc2cc(C(F)(F)F)ccn12
InChIInChI=1S/C9H5F3N2O2/c10-9(11,12)5-1-2-14-6(8(15)16)4-13-7(14)3-5/h1-4H,(H,15,16)
InChIKeyRHHUSYUSMKAMKB-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 7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid (CID 71280482) is 7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid is O=C(O)c1cnc2cc(C(F)(F)F)ccn12.
What is the InChIKey of 7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is RHHUSYUSMKAMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O2/c10-9(11,12)5-1-2-14-6(8(15)16)4-13-7(14)3-5/h1-4H,(H,15,16).
What are the key properties of 7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-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 7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 71280482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).