[3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl] trifluoromethanesulfonate

C15H11F3N2O3S — CID 11544926

IUPAC[3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl] trifluoromethanesulfonate
SMILESCc1ccn2c(-c3cccc(OS(=O)(=O)C(F)(F)F)c3)cnc2c1
InChIInChI=1S/C15H11F3N2O3S/c1-10-5-6-20-13(9-19-14(20)7-10)11-3-2-4-12(8-11)23-24(21,22)15(16,17)18/h2-9H,1H3
InChIKeyIGCBVEKBQIQPBM-UHFFFAOYSA-N
MW356.33 g/mol
LogP3.54
Rot. Bonds3

About [3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl] trifluoromethanesulfonate

[3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl] trifluoromethanesulfonate (PubChem CID 11544926) has the molecular formula C15H11F3N2O3S and a molecular weight of 356.33 g/mol. Its IUPAC name is [3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl] trifluoromethanesulfonate
PubChem CID11544926
Molecular FormulaC15H11F3N2O3S
Molecular Weight356.33 g/mol
Exact Mass356.04
IUPAC Name[3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl] trifluoromethanesulfonate
SMILESCc1ccn2c(-c3cccc(OS(=O)(=O)C(F)(F)F)c3)cnc2c1
InChIInChI=1S/C15H11F3N2O3S/c1-10-5-6-20-13(9-19-14(20)7-10)11-3-2-4-12(8-11)23-24(21,22)15(16,17)18/h2-9H,1H3
InChIKeyIGCBVEKBQIQPBM-UHFFFAOYSA-N
XLogP3.54
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl] trifluoromethanesulfonate?
The IUPAC name of [3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl] trifluoromethanesulfonate (CID 11544926) is [3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl] trifluoromethanesulfonate.
What is the SMILES notation for [3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl] trifluoromethanesulfonate?
The canonical SMILES for [3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl] trifluoromethanesulfonate is Cc1ccn2c(-c3cccc(OS(=O)(=O)C(F)(F)F)c3)cnc2c1.
What is the InChIKey of [3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl] trifluoromethanesulfonate?
The InChIKey is IGCBVEKBQIQPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O3S/c1-10-5-6-20-13(9-19-14(20)7-10)11-3-2-4-12(8-11)23-24(21,22)15(16,17)18/h2-9H,1H3.
What are the key properties of [3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl] trifluoromethanesulfonate?
[3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl] trifluoromethanesulfonate has a molecular weight of 356.33 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl] trifluoromethanesulfonate is sourced from PubChem (CID 11544926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).