5-oxo-8-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridine-3-carbonitrile

C9H6F3N3O — CID 15091360

IUPAC5-oxo-8-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#CC1CNc2c(C(F)(F)F)ccc(=O)n21
InChIInChI=1S/C9H6F3N3O/c10-9(11,12)6-1-2-7(16)15-5(3-13)4-14-8(6)15/h1-2,5,14H,4H2
InChIKeyFBMJGXPTKFZIQL-UHFFFAOYSA-N
MW229.16 g/mol
LogP1.36
Rot. Bonds

About 5-oxo-8-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridine-3-carbonitrile

5-oxo-8-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 15091360) has the molecular formula C9H6F3N3O and a molecular weight of 229.16 g/mol. Its IUPAC name is 5-oxo-8-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-oxo-8-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID15091360
Molecular FormulaC9H6F3N3O
Molecular Weight229.16 g/mol
Exact Mass229.05
IUPAC Name5-oxo-8-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#CC1CNc2c(C(F)(F)F)ccc(=O)n21
InChIInChI=1S/C9H6F3N3O/c10-9(11,12)6-1-2-7(16)15-5(3-13)4-14-8(6)15/h1-2,5,14H,4H2
InChIKeyFBMJGXPTKFZIQL-UHFFFAOYSA-N
XLogP1.36
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(aminomethyl)-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
CID 98771746
8-amino-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
CID 98772517
5-Oxo-1,2,3,5-tetrahydroimidazo[1,2-a]pyridine-8-carbonitrile
CID 12101521
8-(aminomethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
CID 82414601
8-(1-aminoethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
CID 112489371

Frequently Asked Questions

What is the IUPAC name of 5-oxo-8-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 5-oxo-8-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridine-3-carbonitrile (CID 15091360) is 5-oxo-8-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 5-oxo-8-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 5-oxo-8-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridine-3-carbonitrile is N#CC1CNc2c(C(F)(F)F)ccc(=O)n21.
What is the InChIKey of 5-oxo-8-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is FBMJGXPTKFZIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O/c10-9(11,12)6-1-2-7(16)15-5(3-13)4-14-8(6)15/h1-2,5,14H,4H2.
What are the key properties of 5-oxo-8-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridine-3-carbonitrile?
5-oxo-8-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 229.16 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-8-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 15091360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).