furo[3,2-b]pyridin-3-yl trifluoromethanesulfonate

C8H4F3NO4S — CID 87678432

IUPACfuro[3,2-b]pyridin-3-yl trifluoromethanesulfonate
SMILESO=S(=O)(Oc1coc2cccnc12)C(F)(F)F
InChIInChI=1S/C8H4F3NO4S/c9-8(10,11)17(13,14)16-6-4-15-5-2-1-3-12-7(5)6/h1-4H
InChIKeyJRENJRQSEKQYAN-UHFFFAOYSA-N
MW267.18 g/mol
LogP2.06
Rot. Bonds2

About furo[3,2-b]pyridin-3-yl trifluoromethanesulfonate

furo[3,2-b]pyridin-3-yl trifluoromethanesulfonate (PubChem CID 87678432) has the molecular formula C8H4F3NO4S and a molecular weight of 267.18 g/mol. Its IUPAC name is furo[3,2-b]pyridin-3-yl trifluoromethanesulfonate.

Molecular Properties

Compound Namefuro[3,2-b]pyridin-3-yl trifluoromethanesulfonate
PubChem CID87678432
Molecular FormulaC8H4F3NO4S
Molecular Weight267.18 g/mol
Exact Mass266.98
IUPAC Namefuro[3,2-b]pyridin-3-yl trifluoromethanesulfonate
SMILESO=S(=O)(Oc1coc2cccnc12)C(F)(F)F
InChIInChI=1S/C8H4F3NO4S/c9-8(10,11)17(13,14)16-6-4-15-5-2-1-3-12-7(5)6/h1-4H
InChIKeyJRENJRQSEKQYAN-UHFFFAOYSA-N
XLogP2.06
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.18
LogP ≤ 52.06
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

(2-chloro-3-pyridinyl) trifluoromethanesulfonate
CID 10967281
(2-quinolin-8-ylphenyl) trifluoromethanesulfonate
CID 87290128
(2-pyrimidin-2-ylphenyl) trifluoromethanesulfonate
CID 54523576
N-phenylfuro[3,2-b]pyridin-3-amine;2,2,2-trifluoroacetic acid
CID 56587824
2-amino-2-furo[3,2-b]pyridin-3-ylacetic acid
CID 84772218
ethyl 2-furo[3,2-b]pyridin-3-ylacetate
CID 10442936
(2-trimethylsilylphenyl) trifluoromethanesulfonate;dihydrofluoride
CID 158690774
(3-nitro-2-pyridinyl) trifluoromethanesulfonate
CID 3252111
cesium;hydride;(2-trimethylsilylphenyl) trifluoromethanesulfonate
CID 174845505
[3-(dimethylcarbamoyl)-2-pyridinyl] trifluoromethanesulfonate
CID 154017837
[2-(2-methylphenyl)-3-(trifluoromethylsulfonyloxy)phenyl] trifluoromethanesulfonate
CID 15213985
[2-[dimethyl(phenyl)silyl]phenyl] trifluoromethanesulfonate
CID 135020579

Frequently Asked Questions

What is the IUPAC name of furo[3,2-b]pyridin-3-yl trifluoromethanesulfonate?
The IUPAC name of furo[3,2-b]pyridin-3-yl trifluoromethanesulfonate (CID 87678432) is furo[3,2-b]pyridin-3-yl trifluoromethanesulfonate.
What is the SMILES notation for furo[3,2-b]pyridin-3-yl trifluoromethanesulfonate?
The canonical SMILES for furo[3,2-b]pyridin-3-yl trifluoromethanesulfonate is O=S(=O)(Oc1coc2cccnc12)C(F)(F)F.
What is the InChIKey of furo[3,2-b]pyridin-3-yl trifluoromethanesulfonate?
The InChIKey is JRENJRQSEKQYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3NO4S/c9-8(10,11)17(13,14)16-6-4-15-5-2-1-3-12-7(5)6/h1-4H.
What are the key properties of furo[3,2-b]pyridin-3-yl trifluoromethanesulfonate?
furo[3,2-b]pyridin-3-yl trifluoromethanesulfonate has a molecular weight of 267.18 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furo[3,2-b]pyridin-3-yl trifluoromethanesulfonate is sourced from PubChem (CID 87678432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).