6-(3-fluorophenyl)-3-prop-1-enyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid

C18H12F4N2O2 — CID 68745149

IUPAC6-(3-fluorophenyl)-3-prop-1-enyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCC=Cc1c(C(=O)O)nc2c(C(F)(F)F)cc(-c3cccc(F)c3)cn12
InChIInChI=1S/C18H12F4N2O2/c1-2-4-14-15(17(25)26)23-16-13(18(20,21)22)8-11(9-24(14)16)10-5-3-6-12(19)7-10/h2-9H,1H3,(H,25,26)
InChIKeyWIJQIWWPCCBVIF-UHFFFAOYSA-N
MW364.30 g/mol
LogP4.89
Rot. Bonds3

About 6-(3-fluorophenyl)-3-prop-1-enyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid

6-(3-fluorophenyl)-3-prop-1-enyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 68745149) has the molecular formula C18H12F4N2O2 and a molecular weight of 364.30 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-3-prop-1-enyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-fluorophenyl)-3-prop-1-enyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID68745149
Molecular FormulaC18H12F4N2O2
Molecular Weight364.30 g/mol
Exact Mass364.08
IUPAC Name6-(3-fluorophenyl)-3-prop-1-enyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCC=Cc1c(C(=O)O)nc2c(C(F)(F)F)cc(-c3cccc(F)c3)cn12
InChIInChI=1S/C18H12F4N2O2/c1-2-4-14-15(17(25)26)23-16-13(18(20,21)22)8-11(9-24(14)16)10-5-3-6-12(19)7-10/h2-9H,1H3,(H,25,26)
InChIKeyWIJQIWWPCCBVIF-UHFFFAOYSA-N
XLogP4.89
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.30
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-3-prop-1-enyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 6-(3-fluorophenyl)-3-prop-1-enyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid (CID 68745149) is 6-(3-fluorophenyl)-3-prop-1-enyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(3-fluorophenyl)-3-prop-1-enyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 6-(3-fluorophenyl)-3-prop-1-enyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid is CC=Cc1c(C(=O)O)nc2c(C(F)(F)F)cc(-c3cccc(F)c3)cn12.
What is the InChIKey of 6-(3-fluorophenyl)-3-prop-1-enyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is WIJQIWWPCCBVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N2O2/c1-2-4-14-15(17(25)26)23-16-13(18(20,21)22)8-11(9-24(14)16)10-5-3-6-12(19)7-10/h2-9H,1H3,(H,25,26).
What are the key properties of 6-(3-fluorophenyl)-3-prop-1-enyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
6-(3-fluorophenyl)-3-prop-1-enyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 364.30 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-3-prop-1-enyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 68745149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).