3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzonitrile

C15H8F3N3 — CID 122476393

IUPAC3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzonitrile
SMILESN#Cc1cccc(-c2cn3cc(C(F)(F)F)ccc3n2)c1
InChIInChI=1S/C15H8F3N3/c16-15(17,18)12-4-5-14-20-13(9-21(14)8-12)11-3-1-2-10(6-11)7-19/h1-6,8-9H
InChIKeyIDNFYHPOYDVJRB-UHFFFAOYSA-N
MW287.24 g/mol
LogP3.89
Rot. Bonds1

About 3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzonitrile

3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzonitrile (PubChem CID 122476393) has the molecular formula C15H8F3N3 and a molecular weight of 287.24 g/mol. Its IUPAC name is 3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzonitrile
PubChem CID122476393
Molecular FormulaC15H8F3N3
Molecular Weight287.24 g/mol
Exact Mass287.07
IUPAC Name3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzonitrile
SMILESN#Cc1cccc(-c2cn3cc(C(F)(F)F)ccc3n2)c1
InChIInChI=1S/C15H8F3N3/c16-15(17,18)12-4-5-14-20-13(9-21(14)8-12)11-3-1-2-10(6-11)7-19/h1-6,8-9H
InChIKeyIDNFYHPOYDVJRB-UHFFFAOYSA-N
XLogP3.89
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanesulfonamide
CID 162535328
[3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl] acetate
CID 162535130
3-[6-[3-(2-fluoro-2-hydroxyethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile
CID 70869874
2-(4-bromophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;hydrobromide
CID 67122886
3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzonitrile
CID 46835564
2-(3-methoxyphenyl)imidazo[1,2-a]pyridine-6-carbonitrile
CID 82060343
2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-ol
CID 117130812
3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]benzonitrile
CID 157158460
fluoro 3-(3-cyanophenyl)pyrrolo[1,2-a]pyrazine-1-carboxylate
CID 153350480
4-methyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenol
CID 71614811
2-cyclopropyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 121206446
[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]methanamine
CID 81455778

Frequently Asked Questions

What is the IUPAC name of 3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzonitrile?
The IUPAC name of 3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzonitrile (CID 122476393) is 3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzonitrile.
What is the SMILES notation for 3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzonitrile?
The canonical SMILES for 3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzonitrile is N#Cc1cccc(-c2cn3cc(C(F)(F)F)ccc3n2)c1.
What is the InChIKey of 3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzonitrile?
The InChIKey is IDNFYHPOYDVJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N3/c16-15(17,18)12-4-5-14-20-13(9-21(14)8-12)11-3-1-2-10(6-11)7-19/h1-6,8-9H.
What are the key properties of 3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzonitrile?
3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzonitrile has a molecular weight of 287.24 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzonitrile is sourced from PubChem (CID 122476393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).