4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylic acid

C8H9NO2S — CID 18377417

IUPAC4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2c(s1)CNCC2
InChIInChI=1S/C8H9NO2S/c10-8(11)6-3-5-1-2-9-4-7(5)12-6/h3,9H,1-2,4H2,(H,10,11)
InChIKeyZDKHUQDELHMHFD-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.09
Rot. Bonds1

About 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylic acid

4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylic acid (PubChem CID 18377417) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylic acid
PubChem CID18377417
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2c(s1)CNCC2
InChIInChI=1S/C8H9NO2S/c10-8(11)6-3-5-1-2-9-4-7(5)12-6/h3,9H,1-2,4H2,(H,10,11)
InChIKeyZDKHUQDELHMHFD-UHFFFAOYSA-N
XLogP1.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylic acid?
The IUPAC name of 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylic acid (CID 18377417) is 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylic acid?
The canonical SMILES for 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylic acid is O=C(O)c1cc2c(s1)CNCC2.
What is the InChIKey of 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylic acid?
The InChIKey is ZDKHUQDELHMHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c10-8(11)6-3-5-1-2-9-4-7(5)12-6/h3,9H,1-2,4H2,(H,10,11).
What are the key properties of 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylic acid?
4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylic acid has a molecular weight of 183.23 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 18377417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).