(2-imidazo[1,2-a]pyridin-3-ylphenyl) trifluoromethanesulfonate

C14H9F3N2O3S — CID 86653336

IUPAC(2-imidazo[1,2-a]pyridin-3-ylphenyl) trifluoromethanesulfonate
SMILESO=S(=O)(Oc1ccccc1-c1cnc2ccccn12)C(F)(F)F
InChIInChI=1S/C14H9F3N2O3S/c15-14(16,17)23(20,21)22-12-6-2-1-5-10(12)11-9-18-13-7-3-4-8-19(11)13/h1-9H
InChIKeyXYMDSBUBZNIOGJ-UHFFFAOYSA-N
MW342.30 g/mol
LogP3.23
Rot. Bonds3

About (2-imidazo[1,2-a]pyridin-3-ylphenyl) trifluoromethanesulfonate

(2-imidazo[1,2-a]pyridin-3-ylphenyl) trifluoromethanesulfonate (PubChem CID 86653336) has the molecular formula C14H9F3N2O3S and a molecular weight of 342.30 g/mol. Its IUPAC name is (2-imidazo[1,2-a]pyridin-3-ylphenyl) trifluoromethanesulfonate.

Molecular Properties

Compound Name(2-imidazo[1,2-a]pyridin-3-ylphenyl) trifluoromethanesulfonate
PubChem CID86653336
Molecular FormulaC14H9F3N2O3S
Molecular Weight342.30 g/mol
Exact Mass342.03
IUPAC Name(2-imidazo[1,2-a]pyridin-3-ylphenyl) trifluoromethanesulfonate
SMILESO=S(=O)(Oc1ccccc1-c1cnc2ccccn12)C(F)(F)F
InChIInChI=1S/C14H9F3N2O3S/c15-14(16,17)23(20,21)22-12-6-2-1-5-10(12)11-9-18-13-7-3-4-8-19(11)13/h1-9H
InChIKeyXYMDSBUBZNIOGJ-UHFFFAOYSA-N
XLogP3.23
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 53.23
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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Related Compounds

4-Imidazo[1,2-a]pyridin-2-yl-phenol
CID 16682232
6-(4-(Trifluoromethoxy)phenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine
CID 58118918
6-[4-(Trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 127044897
4-[2-Methyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
CID 142401442
2-[4-(Methanesulfinyl)-2-methoxyphenyl]imidazo[1,2-a]pyrazine
CID 14116989
Phenol, 4-imidazo(1,2-a)pyrazin-2-yl-3-methoxy-, methanesulfonate (ester)
CID 13670632
4-[6-(Trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenol
CID 398323
2-{7-Methyl-3-[(4-methylphenyl)amino]imidazo[1,2-a]pyridin-2-yl}phenol
CID 3489129
2-allyl-6-{(E)-[(2-phenylimidazo[1,2-a]pyridin-8-yl)imino]methyl}phenol
CID 5179799
2-{6-Methyl-3-[(2-methylphenyl)amino]imidazo[1,2-a]pyridin-2-yl}phenol
CID 15989666
2-Tert-butyl-3-[(2-methoxyphenyl)methyl]-6-methylimidazo[1,2-a]pyridine
CID 51359066
2-{3-[(4-Methylphenyl)amino]imidazo[1,2-a]pyrazin-2-yl}phenol
CID 135472762

Frequently Asked Questions

What is the IUPAC name of (2-imidazo[1,2-a]pyridin-3-ylphenyl) trifluoromethanesulfonate?
The IUPAC name of (2-imidazo[1,2-a]pyridin-3-ylphenyl) trifluoromethanesulfonate (CID 86653336) is (2-imidazo[1,2-a]pyridin-3-ylphenyl) trifluoromethanesulfonate.
What is the SMILES notation for (2-imidazo[1,2-a]pyridin-3-ylphenyl) trifluoromethanesulfonate?
The canonical SMILES for (2-imidazo[1,2-a]pyridin-3-ylphenyl) trifluoromethanesulfonate is O=S(=O)(Oc1ccccc1-c1cnc2ccccn12)C(F)(F)F.
What is the InChIKey of (2-imidazo[1,2-a]pyridin-3-ylphenyl) trifluoromethanesulfonate?
The InChIKey is XYMDSBUBZNIOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O3S/c15-14(16,17)23(20,21)22-12-6-2-1-5-10(12)11-9-18-13-7-3-4-8-19(11)13/h1-9H.
What are the key properties of (2-imidazo[1,2-a]pyridin-3-ylphenyl) trifluoromethanesulfonate?
(2-imidazo[1,2-a]pyridin-3-ylphenyl) trifluoromethanesulfonate has a molecular weight of 342.30 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-imidazo[1,2-a]pyridin-3-ylphenyl) trifluoromethanesulfonate is sourced from PubChem (CID 86653336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).