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

C8H8ClNO2S — CID 21325961

IUPAC2-chloro-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-6-carboxylic acid
SMILESO=C(O)C1Cc2sc(Cl)cc2CN1
InChIInChI=1S/C8H8ClNO2S/c9-7-1-4-3-10-5(8(11)12)2-6(4)13-7/h1,5,10H,2-3H2,(H,11,12)
InChIKeyOMGBSCDDGFBXFH-UHFFFAOYSA-N
MW217.68 g/mol
LogP1.50
Rot. Bonds1

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

2-chloro-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-6-carboxylic acid (PubChem CID 21325961) has the molecular formula C8H8ClNO2S and a molecular weight of 217.68 g/mol. Its IUPAC name is 2-chloro-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-chloro-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-6-carboxylic acid
PubChem CID21325961
Molecular FormulaC8H8ClNO2S
Molecular Weight217.68 g/mol
Exact Mass217.00
IUPAC Name2-chloro-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-6-carboxylic acid
SMILESO=C(O)C1Cc2sc(Cl)cc2CN1
InChIInChI=1S/C8H8ClNO2S/c9-7-1-4-3-10-5(8(11)12)2-6(4)13-7/h1,5,10H,2-3H2,(H,11,12)
InChIKeyOMGBSCDDGFBXFH-UHFFFAOYSA-N
XLogP1.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.68
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-6-carboxylic acid?
The IUPAC name of 2-chloro-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-6-carboxylic acid (CID 21325961) is 2-chloro-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-chloro-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-6-carboxylic acid?
The canonical SMILES for 2-chloro-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-6-carboxylic acid is O=C(O)C1Cc2sc(Cl)cc2CN1.
What is the InChIKey of 2-chloro-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-6-carboxylic acid?
The InChIKey is OMGBSCDDGFBXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2S/c9-7-1-4-3-10-5(8(11)12)2-6(4)13-7/h1,5,10H,2-3H2,(H,11,12).
What are the key properties of 2-chloro-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-6-carboxylic acid?
2-chloro-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-6-carboxylic acid has a molecular weight of 217.68 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 21325961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).