[6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]methyl methanesulfonate

C10H8F3NO3S2 — CID 22065976

IUPAC[6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]methyl methanesulfonate
SMILESCS(=O)(=O)OCc1cc2ncc(C(F)(F)F)cc2s1
InChIInChI=1S/C10H8F3NO3S2/c1-19(15,16)17-5-7-3-8-9(18-7)2-6(4-14-8)10(11,12)13/h2-4H,5H2,1H3
InChIKeyDEYCSGDZSCVWRQ-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.79
Rot. Bonds3

About [6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]methyl methanesulfonate

[6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]methyl methanesulfonate (PubChem CID 22065976) has the molecular formula C10H8F3NO3S2 and a molecular weight of 311.31 g/mol. Its IUPAC name is [6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]methyl methanesulfonate.

Molecular Properties

Compound Name[6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]methyl methanesulfonate
PubChem CID22065976
Molecular FormulaC10H8F3NO3S2
Molecular Weight311.31 g/mol
Exact Mass310.99
IUPAC Name[6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]methyl methanesulfonate
SMILESCS(=O)(=O)OCc1cc2ncc(C(F)(F)F)cc2s1
InChIInChI=1S/C10H8F3NO3S2/c1-19(15,16)17-5-7-3-8-9(18-7)2-6(4-14-8)10(11,12)13/h2-4H,5H2,1H3
InChIKeyDEYCSGDZSCVWRQ-UHFFFAOYSA-N
XLogP2.79
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylate
CID 2809345
{3-Methyl-5-[5-(trifluoromethyl)pyridin-2-yl]thien-2-yl}methanol
CID 21986475
Thieno[3,2-b]pyridine-2-methanol, 6-(trifluoromethyl)-
CID 22065988
[4-(Thieno[3,2-c]pyridin-4-ylmethyl)phenyl] trifluoromethanesulfonate
CID 59715600
[4-(Thieno[2,3-c]pyridin-7-ylmethyl)phenyl] trifluoromethanesulfonate
CID 59715616
(4-(6-Methylpyridin-3-yl)-2-(trifluoromethyl)thiophen-3-yl)methyl methanesulfonate
CID 90418255
[2-(Fluoromethyl)-4-(6-methyl-3-pyridinyl)thiophen-3-yl]methyl methanesulfonate
CID 118198379
[1]Benzothiolo[3,2-b]pyridin-6-yl trifluoromethanesulfonate
CID 122693108
2-Methyl-6-(trifluoromethyl)thieno[3,2-b]pyridine
CID 141979633
[7-(Difluoromethyl)thieno[3,2-b]pyridin-2-yl]methanol
CID 155460182
1,1,1-Trifluoro-2-thieno[3,2-b]pyridin-7-ylpropan-2-ol
CID 164709755
Thieno[3,2-b]pyridin-6-yl trifluoromethanesulfonate
CID 172598943

Frequently Asked Questions

What is the IUPAC name of [6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]methyl methanesulfonate?
The IUPAC name of [6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]methyl methanesulfonate (CID 22065976) is [6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]methyl methanesulfonate.
What is the SMILES notation for [6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]methyl methanesulfonate?
The canonical SMILES for [6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]methyl methanesulfonate is CS(=O)(=O)OCc1cc2ncc(C(F)(F)F)cc2s1.
What is the InChIKey of [6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]methyl methanesulfonate?
The InChIKey is DEYCSGDZSCVWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO3S2/c1-19(15,16)17-5-7-3-8-9(18-7)2-6(4-14-8)10(11,12)13/h2-4H,5H2,1H3.
What are the key properties of [6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]methyl methanesulfonate?
[6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]methyl methanesulfonate has a molecular weight of 311.31 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]methyl methanesulfonate is sourced from PubChem (CID 22065976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).