4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylmethanol;2,2,2-trifluoroacetic acid

C10H12F3NO3S — CID 122444723

IUPAC4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylmethanol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OCc1cc2c(s1)CCNC2
InChIInChI=1S/C8H11NOS.C2HF3O2/c10-5-7-3-6-4-9-2-1-8(6)11-7;3-2(4,5)1(6)7/h3,9-10H,1-2,4-5H2;(H,6,7)
InChIKeyGIJLWWLOXUPPTR-UHFFFAOYSA-N
MW283.27 g/mol
LogP1.52
Rot. Bonds1

About 4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylmethanol;2,2,2-trifluoroacetic acid

4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylmethanol;2,2,2-trifluoroacetic acid (PubChem CID 122444723) has the molecular formula C10H12F3NO3S and a molecular weight of 283.27 g/mol. Its IUPAC name is 4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylmethanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylmethanol;2,2,2-trifluoroacetic acid
PubChem CID122444723
Molecular FormulaC10H12F3NO3S
Molecular Weight283.27 g/mol
Exact Mass283.05
IUPAC Name4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylmethanol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OCc1cc2c(s1)CCNC2
InChIInChI=1S/C8H11NOS.C2HF3O2/c10-5-7-3-6-4-9-2-1-8(6)11-7;3-2(4,5)1(6)7/h3,9-10H,1-2,4-5H2;(H,6,7)
InChIKeyGIJLWWLOXUPPTR-UHFFFAOYSA-N
XLogP1.52
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylmethanol;2,2,2-trifluoroacetic acid?
The IUPAC name of 4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylmethanol;2,2,2-trifluoroacetic acid (CID 122444723) is 4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylmethanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylmethanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylmethanol;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.OCc1cc2c(s1)CCNC2.
What is the InChIKey of 4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylmethanol;2,2,2-trifluoroacetic acid?
The InChIKey is GIJLWWLOXUPPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS.C2HF3O2/c10-5-7-3-6-4-9-2-1-8(6)11-7;3-2(4,5)1(6)7/h3,9-10H,1-2,4-5H2;(H,6,7).
What are the key properties of 4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylmethanol;2,2,2-trifluoroacetic acid?
4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylmethanol;2,2,2-trifluoroacetic acid has a molecular weight of 283.27 g/mol, XLogP of 1.52, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylmethanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 122444723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).