5-chlorothieno[3,2-b]pyridine-6-carboxylic acid

C8H4ClNO2S — CID 14025920

IUPAC5-chlorothieno[3,2-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc2sccc2nc1Cl
InChIInChI=1S/C8H4ClNO2S/c9-7-4(8(11)12)3-6-5(10-7)1-2-13-6/h1-3H,(H,11,12)
InChIKeyJTQYISCVZJCQCW-UHFFFAOYSA-N
MW213.65 g/mol
LogP2.65
Rot. Bonds1

About 5-chlorothieno[3,2-b]pyridine-6-carboxylic acid

5-chlorothieno[3,2-b]pyridine-6-carboxylic acid (PubChem CID 14025920) has the molecular formula C8H4ClNO2S and a molecular weight of 213.65 g/mol. Its IUPAC name is 5-chlorothieno[3,2-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-chlorothieno[3,2-b]pyridine-6-carboxylic acid
PubChem CID14025920
Molecular FormulaC8H4ClNO2S
Molecular Weight213.65 g/mol
Exact Mass212.97
IUPAC Name5-chlorothieno[3,2-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc2sccc2nc1Cl
InChIInChI=1S/C8H4ClNO2S/c9-7-4(8(11)12)3-6-5(10-7)1-2-13-6/h1-3H,(H,11,12)
InChIKeyJTQYISCVZJCQCW-UHFFFAOYSA-N
XLogP2.65
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.65
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chlorothieno[3,2-b]pyridine-6-carboxylic acid?
The IUPAC name of 5-chlorothieno[3,2-b]pyridine-6-carboxylic acid (CID 14025920) is 5-chlorothieno[3,2-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 5-chlorothieno[3,2-b]pyridine-6-carboxylic acid?
The canonical SMILES for 5-chlorothieno[3,2-b]pyridine-6-carboxylic acid is O=C(O)c1cc2sccc2nc1Cl.
What is the InChIKey of 5-chlorothieno[3,2-b]pyridine-6-carboxylic acid?
The InChIKey is JTQYISCVZJCQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClNO2S/c9-7-4(8(11)12)3-6-5(10-7)1-2-13-6/h1-3H,(H,11,12).
What are the key properties of 5-chlorothieno[3,2-b]pyridine-6-carboxylic acid?
5-chlorothieno[3,2-b]pyridine-6-carboxylic acid has a molecular weight of 213.65 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chlorothieno[3,2-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 14025920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).