2-acetylthieno[2,3-c]pyridine-5-carboxylic acid

C10H7NO3S — CID 82392482

IUPAC2-acetylthieno[2,3-c]pyridine-5-carboxylic acid
SMILESCC(=O)c1cc2cc(C(=O)O)ncc2s1
InChIInChI=1S/C10H7NO3S/c1-5(12)8-3-6-2-7(10(13)14)11-4-9(6)15-8/h2-4H,1H3,(H,13,14)
InChIKeySPPFHGOQCUHIHT-UHFFFAOYSA-N
MW221.24 g/mol
LogP2.20
Rot. Bonds2

About 2-acetylthieno[2,3-c]pyridine-5-carboxylic acid

2-acetylthieno[2,3-c]pyridine-5-carboxylic acid (PubChem CID 82392482) has the molecular formula C10H7NO3S and a molecular weight of 221.24 g/mol. Its IUPAC name is 2-acetylthieno[2,3-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-acetylthieno[2,3-c]pyridine-5-carboxylic acid
PubChem CID82392482
Molecular FormulaC10H7NO3S
Molecular Weight221.24 g/mol
Exact Mass221.01
IUPAC Name2-acetylthieno[2,3-c]pyridine-5-carboxylic acid
SMILESCC(=O)c1cc2cc(C(=O)O)ncc2s1
InChIInChI=1S/C10H7NO3S/c1-5(12)8-3-6-2-7(10(13)14)11-4-9(6)15-8/h2-4H,1H3,(H,13,14)
InChIKeySPPFHGOQCUHIHT-UHFFFAOYSA-N
XLogP2.20
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetylthieno[2,3-c]pyridine-5-carboxylic acid?
The IUPAC name of 2-acetylthieno[2,3-c]pyridine-5-carboxylic acid (CID 82392482) is 2-acetylthieno[2,3-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-acetylthieno[2,3-c]pyridine-5-carboxylic acid?
The canonical SMILES for 2-acetylthieno[2,3-c]pyridine-5-carboxylic acid is CC(=O)c1cc2cc(C(=O)O)ncc2s1.
What is the InChIKey of 2-acetylthieno[2,3-c]pyridine-5-carboxylic acid?
The InChIKey is SPPFHGOQCUHIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3S/c1-5(12)8-3-6-2-7(10(13)14)11-4-9(6)15-8/h2-4H,1H3,(H,13,14).
What are the key properties of 2-acetylthieno[2,3-c]pyridine-5-carboxylic acid?
2-acetylthieno[2,3-c]pyridine-5-carboxylic acid has a molecular weight of 221.24 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetylthieno[2,3-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 82392482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).