thieno[3,2-c]pyridin-4-yl trifluoromethanesulfonate

C8H4F3NO3S2 — CID 169135002

IUPACthieno[3,2-c]pyridin-4-yl trifluoromethanesulfonate
SMILESO=S(=O)(Oc1nccc2sccc12)C(F)(F)F
InChIInChI=1S/C8H4F3NO3S2/c9-8(10,11)17(13,14)15-7-5-2-4-16-6(5)1-3-12-7/h1-4H
InChIKeySPNVEITVRNEMME-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.52
Rot. Bonds2

About thieno[3,2-c]pyridin-4-yl trifluoromethanesulfonate

thieno[3,2-c]pyridin-4-yl trifluoromethanesulfonate (PubChem CID 169135002) has the molecular formula C8H4F3NO3S2 and a molecular weight of 283.25 g/mol. Its IUPAC name is thieno[3,2-c]pyridin-4-yl trifluoromethanesulfonate.

Molecular Properties

Compound Namethieno[3,2-c]pyridin-4-yl trifluoromethanesulfonate
PubChem CID169135002
Molecular FormulaC8H4F3NO3S2
Molecular Weight283.25 g/mol
Exact Mass282.96
IUPAC Namethieno[3,2-c]pyridin-4-yl trifluoromethanesulfonate
SMILESO=S(=O)(Oc1nccc2sccc12)C(F)(F)F
InChIInChI=1S/C8H4F3NO3S2/c9-8(10,11)17(13,14)15-7-5-2-4-16-6(5)1-3-12-7/h1-4H
InChIKeySPNVEITVRNEMME-UHFFFAOYSA-N
XLogP2.52
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.52
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

methanesulfonic acid;[4-(thieno[3,2-c]pyridin-4-ylmethyl)phenyl] trifluoromethanesulfonate
CID 174421481
[4-(trifluoromethylsulfonyloxy)thieno[2,3-f][1]benzothiol-8-yl] trifluoromethanesulfonate
CID 153455557
4-methyl-3-thieno[3,2-c]pyridin-4-yloxybenzoic acid
CID 61396222
2-chloro-5-thieno[3,2-c]pyridin-4-yloxybenzoic acid
CID 106502824
[3-(thiophen-2-ylmethyl)-2-pyridinyl] trifluoromethanesulfonate
CID 18182196
thieno[3,2-c]pyridin-4-ylmethanamine
CID 82414810
(5-methoxy-3-phenyl-1,6-naphthyridin-2-yl) trifluoromethanesulfonate
CID 58524749
(3-nitro-2-pyridinyl) trifluoromethanesulfonate
CID 3252111
1-thieno[3,2-c]pyridin-4-ylethanone
CID 130047659
[3-(dimethylcarbamoyl)-2-pyridinyl] trifluoromethanesulfonate
CID 154017837
4H-pyrrolo[3,2-g]isoquinolin-8-yl trifluoromethanesulfonate
CID 150802769
3-thieno[3,2-c]pyridin-4-ylsulfanylbutanoic acid
CID 66113928

Frequently Asked Questions

What is the IUPAC name of thieno[3,2-c]pyridin-4-yl trifluoromethanesulfonate?
The IUPAC name of thieno[3,2-c]pyridin-4-yl trifluoromethanesulfonate (CID 169135002) is thieno[3,2-c]pyridin-4-yl trifluoromethanesulfonate.
What is the SMILES notation for thieno[3,2-c]pyridin-4-yl trifluoromethanesulfonate?
The canonical SMILES for thieno[3,2-c]pyridin-4-yl trifluoromethanesulfonate is O=S(=O)(Oc1nccc2sccc12)C(F)(F)F.
What is the InChIKey of thieno[3,2-c]pyridin-4-yl trifluoromethanesulfonate?
The InChIKey is SPNVEITVRNEMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3NO3S2/c9-8(10,11)17(13,14)15-7-5-2-4-16-6(5)1-3-12-7/h1-4H.
What are the key properties of thieno[3,2-c]pyridin-4-yl trifluoromethanesulfonate?
thieno[3,2-c]pyridin-4-yl trifluoromethanesulfonate has a molecular weight of 283.25 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[3,2-c]pyridin-4-yl trifluoromethanesulfonate is sourced from PubChem (CID 169135002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).