1-(3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone

C9H8ClF3N2O — CID 116984706

IUPAC1-(3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone
SMILESO=C(c1nc(Cl)n2c1CCCC2)C(F)(F)F
InChIInChI=1S/C9H8ClF3N2O/c10-8-14-6(7(16)9(11,12)13)5-3-1-2-4-15(5)8/h1-4H2
InChIKeyYBIIXLKTRMVBMX-UHFFFAOYSA-N
MW252.62 g/mol
LogP2.62
Rot. Bonds1

About 1-(3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone

1-(3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone (PubChem CID 116984706) has the molecular formula C9H8ClF3N2O and a molecular weight of 252.62 g/mol. Its IUPAC name is 1-(3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone
PubChem CID116984706
Molecular FormulaC9H8ClF3N2O
Molecular Weight252.62 g/mol
Exact Mass252.03
IUPAC Name1-(3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone
SMILESO=C(c1nc(Cl)n2c1CCCC2)C(F)(F)F
InChIInChI=1S/C9H8ClF3N2O/c10-8-14-6(7(16)9(11,12)13)5-3-1-2-4-15(5)8/h1-4H2
InChIKeyYBIIXLKTRMVBMX-UHFFFAOYSA-N
XLogP2.62
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.62
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone with MolForge

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Related Compounds

7,8-Dichloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-6,9-dione
CID 155815830
3-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,5-a]pyridine-1-carbaldehyde
CID 132327513
7-(Trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 155480634
5,6,7,8-Tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde
CID 11084049
1-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-benzimidazol-4-one
CID 82393353
1-[3-(Aminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone
CID 116984684
2,2,2-Trifluoro-1-[3-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone
CID 116984685
1-[3-(1-Aminoethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone
CID 116984686
1-[3-(2-Aminoethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone
CID 116984687
1-[3-(Chloromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone
CID 116984688
2,2,2-Trifluoro-1-[3-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone
CID 116984689
2,2,2-Trifluoro-1-[3-(2-hydroxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone
CID 116984690

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone (CID 116984706) is 1-(3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone is O=C(c1nc(Cl)n2c1CCCC2)C(F)(F)F.
What is the InChIKey of 1-(3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone?
The InChIKey is YBIIXLKTRMVBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N2O/c10-8-14-6(7(16)9(11,12)13)5-3-1-2-4-15(5)8/h1-4H2.
What are the key properties of 1-(3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone?
1-(3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone has a molecular weight of 252.62 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 116984706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).