[1]benzothiolo[2,3-c]pyridine-3-carboxylic acid

C12H7NO2S — CID 14233053

IUPAC[1]benzothiolo[2,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c(cn1)sc1ccccc12
InChIInChI=1S/C12H7NO2S/c14-12(15)9-5-8-7-3-1-2-4-10(7)16-11(8)6-13-9/h1-6H,(H,14,15)
InChIKeyBYLMMOUGBBLSMY-UHFFFAOYSA-N
MW229.26 g/mol
LogP3.15
Rot. Bonds1

About [1]benzothiolo[2,3-c]pyridine-3-carboxylic acid

[1]benzothiolo[2,3-c]pyridine-3-carboxylic acid (PubChem CID 14233053) has the molecular formula C12H7NO2S and a molecular weight of 229.26 g/mol. Its IUPAC name is [1]benzothiolo[2,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name[1]benzothiolo[2,3-c]pyridine-3-carboxylic acid
PubChem CID14233053
Molecular FormulaC12H7NO2S
Molecular Weight229.26 g/mol
Exact Mass229.02
IUPAC Name[1]benzothiolo[2,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c(cn1)sc1ccccc12
InChIInChI=1S/C12H7NO2S/c14-12(15)9-5-8-7-3-1-2-4-10(7)16-11(8)6-13-9/h1-6H,(H,14,15)
InChIKeyBYLMMOUGBBLSMY-UHFFFAOYSA-N
XLogP3.15
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1]benzothiolo[2,3-c]pyridine-3-carboxylic acid?
The IUPAC name of [1]benzothiolo[2,3-c]pyridine-3-carboxylic acid (CID 14233053) is [1]benzothiolo[2,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for [1]benzothiolo[2,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for [1]benzothiolo[2,3-c]pyridine-3-carboxylic acid is O=C(O)c1cc2c(cn1)sc1ccccc12.
What is the InChIKey of [1]benzothiolo[2,3-c]pyridine-3-carboxylic acid?
The InChIKey is BYLMMOUGBBLSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO2S/c14-12(15)9-5-8-7-3-1-2-4-10(7)16-11(8)6-13-9/h1-6H,(H,14,15).
What are the key properties of [1]benzothiolo[2,3-c]pyridine-3-carboxylic acid?
[1]benzothiolo[2,3-c]pyridine-3-carboxylic acid has a molecular weight of 229.26 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1]benzothiolo[2,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 14233053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).