(6-bromopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate

C8H4BrF3N2O3S — CID 135193451

IUPAC(6-bromopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate
SMILESO=S(=O)(Oc1cc(Br)cn2nccc12)C(F)(F)F
InChIInChI=1S/C8H4BrF3N2O3S/c9-5-3-7(6-1-2-13-14(6)4-5)17-18(15,16)8(10,11)12/h1-4H
InChIKeyPQQOQQZJTQWHIS-UHFFFAOYSA-N
MW345.10 g/mol
LogP2.33
Rot. Bonds2

About (6-bromopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate

(6-bromopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate (PubChem CID 135193451) has the molecular formula C8H4BrF3N2O3S and a molecular weight of 345.10 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate.

Molecular Properties

Compound Name(6-bromopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate
PubChem CID135193451
Molecular FormulaC8H4BrF3N2O3S
Molecular Weight345.10 g/mol
Exact Mass343.91
IUPAC Name(6-bromopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate
SMILESO=S(=O)(Oc1cc(Br)cn2nccc12)C(F)(F)F
InChIInChI=1S/C8H4BrF3N2O3S/c9-5-3-7(6-1-2-13-14(6)4-5)17-18(15,16)8(10,11)12/h1-4H
InChIKeyPQQOQQZJTQWHIS-UHFFFAOYSA-N
XLogP2.33
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.10
LogP ≤ 52.33
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

6-bromo-1H-pyrrolo[1,2-b]pyridazin-4-one;(6-bromopyrrolo[1,2-b]pyridazin-4-yl) trifluoromethanesulfonate;hydrofluoride
CID 160747954
(6-bromopyrrolo[1,2-b]pyridazin-4-yl) trifluoromethanesulfonate;tert-butyl 4-(6-bromopyrrolo[1,2-b]pyridazin-4-yl)piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate
CID 157391785
(1-fluoro-2-oxoquinolin-4-yl) trifluoromethanesulfonate
CID 158048952
(5-bromo-2-iodo-3-methoxyphenyl) trifluoromethanesulfonate
CID 177474316
[3,6,7-tris(trifluoromethylsulfonyloxy)biphenylen-2-yl] trifluoromethanesulfonate
CID 146535593
(2-bromo-4-iodophenyl) trifluoromethanesulfonate
CID 138967530
(2-chloro-3-pyridinyl) trifluoromethanesulfonate
CID 10967281
(2-pyrimidin-2-ylphenyl) trifluoromethanesulfonate
CID 54523576
(2-trimethylsilylphenyl) trifluoromethanesulfonate;dihydrofluoride
CID 158690774
[2,4-bis(trimethylsilyl)phenyl] trifluoromethanesulfonate
CID 56953950
cesium;hydride;(2-trimethylsilylphenyl) trifluoromethanesulfonate
CID 174845505
furo[3,2-b]pyridin-3-yl trifluoromethanesulfonate
CID 87678432

Frequently Asked Questions

What is the IUPAC name of (6-bromopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate?
The IUPAC name of (6-bromopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate (CID 135193451) is (6-bromopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate.
What is the SMILES notation for (6-bromopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate?
The canonical SMILES for (6-bromopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate is O=S(=O)(Oc1cc(Br)cn2nccc12)C(F)(F)F.
What is the InChIKey of (6-bromopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate?
The InChIKey is PQQOQQZJTQWHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF3N2O3S/c9-5-3-7(6-1-2-13-14(6)4-5)17-18(15,16)8(10,11)12/h1-4H.
What are the key properties of (6-bromopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate?
(6-bromopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate has a molecular weight of 345.10 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate is sourced from PubChem (CID 135193451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).