3-(chloromethyl)-2-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine

C12H12ClF3N2 — CID 82529481

IUPAC3-(chloromethyl)-2-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCC(C)c1nc2c(C(F)(F)F)cccn2c1CCl
InChIInChI=1S/C12H12ClF3N2/c1-7(2)10-9(6-13)18-5-3-4-8(11(18)17-10)12(14,15)16/h3-5,7H,6H2,1-2H3
InChIKeyKMEHRHLHZIRROU-UHFFFAOYSA-N
MW276.69 g/mol
LogP4.22
Rot. Bonds2

About 3-(chloromethyl)-2-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine

3-(chloromethyl)-2-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 82529481) has the molecular formula C12H12ClF3N2 and a molecular weight of 276.69 g/mol. Its IUPAC name is 3-(chloromethyl)-2-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID82529481
Molecular FormulaC12H12ClF3N2
Molecular Weight276.69 g/mol
Exact Mass276.06
IUPAC Name3-(chloromethyl)-2-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCC(C)c1nc2c(C(F)(F)F)cccn2c1CCl
InChIInChI=1S/C12H12ClF3N2/c1-7(2)10-9(6-13)18-5-3-4-8(11(18)17-10)12(14,15)16/h3-5,7H,6H2,1-2H3
InChIKeyKMEHRHLHZIRROU-UHFFFAOYSA-N
XLogP4.22
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.69
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-(chloromethyl)-2-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(chloromethyl)-2-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 82529481) is 3-(chloromethyl)-2-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(chloromethyl)-2-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(chloromethyl)-2-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine is CC(C)c1nc2c(C(F)(F)F)cccn2c1CCl.
What is the InChIKey of 3-(chloromethyl)-2-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is KMEHRHLHZIRROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF3N2/c1-7(2)10-9(6-13)18-5-3-4-8(11(18)17-10)12(14,15)16/h3-5,7H,6H2,1-2H3.
What are the key properties of 3-(chloromethyl)-2-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
3-(chloromethyl)-2-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 276.69 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 82529481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).