ethane;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid

C17H15F3N2O2 — CID 143902946

IUPACethane;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid
SMILESCC.O=C(O)c1cccn2cc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C15H9F3N2O2.C2H6/c16-15(17,18)10-4-1-3-9(7-10)12-8-20-6-2-5-11(14(21)22)13(20)19-12;1-2/h1-8H,(H,21,22);1-2H3
InChIKeyOTSAMNCDNIJJSZ-UHFFFAOYSA-N
MW336.31 g/mol
LogP4.74
Rot. Bonds2

About ethane;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid

ethane;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid (PubChem CID 143902946) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is ethane;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Nameethane;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid
PubChem CID143902946
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC Nameethane;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid
SMILESCC.O=C(O)c1cccn2cc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C15H9F3N2O2.C2H6/c16-15(17,18)10-4-1-3-9(7-10)12-8-20-6-2-5-11(14(21)22)13(20)19-12;1-2/h1-8H,(H,21,22);1-2H3
InChIKeyOTSAMNCDNIJJSZ-UHFFFAOYSA-N
XLogP4.74
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid?
The IUPAC name of ethane;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid (CID 143902946) is ethane;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid.
What is the SMILES notation for ethane;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid?
The canonical SMILES for ethane;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid is CC.O=C(O)c1cccn2cc(-c3cccc(C(F)(F)F)c3)nc12.
What is the InChIKey of ethane;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid?
The InChIKey is OTSAMNCDNIJJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O2.C2H6/c16-15(17,18)10-4-1-3-9(7-10)12-8-20-6-2-5-11(14(21)22)13(20)19-12;1-2/h1-8H,(H,21,22);1-2H3.
What are the key properties of ethane;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid?
ethane;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid has a molecular weight of 336.31 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 143902946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).