5-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxylic acid

C16H11F3N2O2 — CID 59496142

IUPAC5-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCc1cccc2nc(C(=O)O)c(-c3cccc(C(F)(F)F)c3)n12
InChIInChI=1S/C16H11F3N2O2/c1-9-4-2-7-12-20-13(15(22)23)14(21(9)12)10-5-3-6-11(8-10)16(17,18)19/h2-8H,1H3,(H,22,23)
InChIKeyYERZKXIAINNQLY-UHFFFAOYSA-N
MW320.27 g/mol
LogP4.03
Rot. Bonds2

About 5-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxylic acid

5-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 59496142) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is 5-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID59496142
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC Name5-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCc1cccc2nc(C(=O)O)c(-c3cccc(C(F)(F)F)c3)n12
InChIInChI=1S/C16H11F3N2O2/c1-9-4-2-7-12-20-13(15(22)23)14(21(9)12)10-5-3-6-11(8-10)16(17,18)19/h2-8H,1H3,(H,22,23)
InChIKeyYERZKXIAINNQLY-UHFFFAOYSA-N
XLogP4.03
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 5-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxylic acid (CID 59496142) is 5-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 5-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxylic acid is Cc1cccc2nc(C(=O)O)c(-c3cccc(C(F)(F)F)c3)n12.
What is the InChIKey of 5-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is YERZKXIAINNQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c1-9-4-2-7-12-20-13(15(22)23)14(21(9)12)10-5-3-6-11(8-10)16(17,18)19/h2-8H,1H3,(H,22,23).
What are the key properties of 5-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
5-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 320.27 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 59496142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).