2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid

C15H9F3N2O2 — CID 117137722

IUPAC2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2cc(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C15H9F3N2O2/c16-15(17,18)10-5-3-9(4-6-10)12-8-20-7-1-2-11(14(21)22)13(20)19-12/h1-8H,(H,21,22)
InChIKeyWIDAEHXJFCEJKJ-UHFFFAOYSA-N
MW306.24 g/mol
LogP3.72
Rot. Bonds2

About 2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid

2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid (PubChem CID 117137722) has the molecular formula C15H9F3N2O2 and a molecular weight of 306.24 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid
PubChem CID117137722
Molecular FormulaC15H9F3N2O2
Molecular Weight306.24 g/mol
Exact Mass306.06
IUPAC Name2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2cc(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C15H9F3N2O2/c16-15(17,18)10-5-3-9(4-6-10)12-8-20-7-1-2-11(14(21)22)13(20)19-12/h1-8H,(H,21,22)
InChIKeyWIDAEHXJFCEJKJ-UHFFFAOYSA-N
XLogP3.72
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid (CID 117137722) is 2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid is O=C(O)c1cccn2cc(-c3ccc(C(F)(F)F)cc3)nc12.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid?
The InChIKey is WIDAEHXJFCEJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O2/c16-15(17,18)10-5-3-9(4-6-10)12-8-20-7-1-2-11(14(21)22)13(20)19-12/h1-8H,(H,21,22).
What are the key properties of 2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid?
2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid has a molecular weight of 306.24 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 117137722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).