5-benzoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid

C15H13NO3S — CID 82369269

IUPAC5-benzoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2c(s1)CCN(C(=O)c1ccccc1)C2
InChIInChI=1S/C15H13NO3S/c17-14(10-4-2-1-3-5-10)16-7-6-12-11(9-16)8-13(20-12)15(18)19/h1-5,8H,6-7,9H2,(H,18,19)
InChIKeyIIFBWDLQHRNMEP-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.64
Rot. Bonds2

About 5-benzoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid

5-benzoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid (PubChem CID 82369269) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 5-benzoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-benzoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
PubChem CID82369269
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Name5-benzoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2c(s1)CCN(C(=O)c1ccccc1)C2
InChIInChI=1S/C15H13NO3S/c17-14(10-4-2-1-3-5-10)16-7-6-12-11(9-16)8-13(20-12)15(18)19/h1-5,8H,6-7,9H2,(H,18,19)
InChIKeyIIFBWDLQHRNMEP-UHFFFAOYSA-N
XLogP2.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid?
The IUPAC name of 5-benzoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid (CID 82369269) is 5-benzoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-benzoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid?
The canonical SMILES for 5-benzoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid is O=C(O)c1cc2c(s1)CCN(C(=O)c1ccccc1)C2.
What is the InChIKey of 5-benzoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid?
The InChIKey is IIFBWDLQHRNMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S/c17-14(10-4-2-1-3-5-10)16-7-6-12-11(9-16)8-13(20-12)15(18)19/h1-5,8H,6-7,9H2,(H,18,19).
What are the key properties of 5-benzoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid?
5-benzoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid has a molecular weight of 287.34 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 82369269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).