3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-6-carboxylic acid

C15H9F3N2O2 — CID 117140347

IUPAC3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2cnc(-c3cccc(C(F)(F)F)c3)n2c1
InChIInChI=1S/C15H9F3N2O2/c16-15(17,18)11-3-1-2-9(6-11)13-19-7-12-5-4-10(14(21)22)8-20(12)13/h1-8H,(H,21,22)
InChIKeyCSBKQZJEXGSVNL-UHFFFAOYSA-N
MW306.24 g/mol
LogP3.72
Rot. Bonds2

About 3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-6-carboxylic acid

3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-6-carboxylic acid (PubChem CID 117140347) has the molecular formula C15H9F3N2O2 and a molecular weight of 306.24 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-6-carboxylic acid
PubChem CID117140347
Molecular FormulaC15H9F3N2O2
Molecular Weight306.24 g/mol
Exact Mass306.06
IUPAC Name3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2cnc(-c3cccc(C(F)(F)F)c3)n2c1
InChIInChI=1S/C15H9F3N2O2/c16-15(17,18)11-3-1-2-9(6-11)13-19-7-12-5-4-10(14(21)22)8-20(12)13/h1-8H,(H,21,22)
InChIKeyCSBKQZJEXGSVNL-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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Related Compounds

3-(6-bromoimidazo[1,5-a]pyridin-3-yl)benzoic acid
CID 117158432
2-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 117130740
4-[[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]benzoic acid
CID 141377215
3-(7-aminoimidazo[1,5-a]pyridin-3-yl)benzoic acid
CID 117158533
3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-5-carbaldehyde
CID 117141165
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-[6-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]benzamide
CID 156503074
2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 172876886
3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid
CID 58156960
1-methyl-3-[3-(trifluoromethyl)phenyl]indole-6-carboxylic acid
CID 59625707
4-fluoro-3-[3-(trifluoromethyl)phenyl]benzoic acid
CID 52984137
phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 132564507
5-fluoro-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 133089636

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-6-carboxylic acid?
The IUPAC name of 3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-6-carboxylic acid (CID 117140347) is 3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-6-carboxylic acid?
The canonical SMILES for 3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-6-carboxylic acid is O=C(O)c1ccc2cnc(-c3cccc(C(F)(F)F)c3)n2c1.
What is the InChIKey of 3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-6-carboxylic acid?
The InChIKey is CSBKQZJEXGSVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O2/c16-15(17,18)11-3-1-2-9(6-11)13-19-7-12-5-4-10(14(21)22)8-20(12)13/h1-8H,(H,21,22).
What are the key properties of 3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-6-carboxylic acid?
3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-6-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 3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 117140347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).