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

C10H10ClF3N2O — CID 116984688

IUPAC1-[3-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone
SMILESO=C(c1nc(CCl)n2c1CCCC2)C(F)(F)F
InChIInChI=1S/C10H10ClF3N2O/c11-5-7-15-8(9(17)10(12,13)14)6-3-1-2-4-16(6)7/h1-5H2
InChIKeyQGZBDFHTQCQPGK-UHFFFAOYSA-N
MW266.65 g/mol
LogP2.70
Rot. Bonds2

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

1-[3-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 116984688) has the molecular formula C10H10ClF3N2O and a molecular weight of 266.65 g/mol. Its IUPAC name is 1-[3-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[3-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone
PubChem CID116984688
Molecular FormulaC10H10ClF3N2O
Molecular Weight266.65 g/mol
Exact Mass266.04
IUPAC Name1-[3-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone
SMILESO=C(c1nc(CCl)n2c1CCCC2)C(F)(F)F
InChIInChI=1S/C10H10ClF3N2O/c11-5-7-15-8(9(17)10(12,13)14)6-3-1-2-4-16(6)7/h1-5H2
InChIKeyQGZBDFHTQCQPGK-UHFFFAOYSA-N
XLogP2.70
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.65
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[3-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone (CID 116984688) is 1-[3-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[3-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[3-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone is O=C(c1nc(CCl)n2c1CCCC2)C(F)(F)F.
What is the InChIKey of 1-[3-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is QGZBDFHTQCQPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O/c11-5-7-15-8(9(17)10(12,13)14)6-3-1-2-4-16(6)7/h1-5H2.
What are the key properties of 1-[3-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone?
1-[3-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 266.65 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 116984688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).