7-chlorothieno[3,2-b]pyridine-2-carboxylic acid

C8H4ClNO2S — CID 11276033

IUPAC7-chlorothieno[3,2-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2nccc(Cl)c2s1
InChIInChI=1S/C8H4ClNO2S/c9-4-1-2-10-5-3-6(8(11)12)13-7(4)5/h1-3H,(H,11,12)
InChIKeyOACQHLMJJRQAPO-UHFFFAOYSA-N
MW213.65 g/mol
LogP2.65
Rot. Bonds1

About 7-chlorothieno[3,2-b]pyridine-2-carboxylic acid

7-chlorothieno[3,2-b]pyridine-2-carboxylic acid (PubChem CID 11276033) has the molecular formula C8H4ClNO2S and a molecular weight of 213.65 g/mol. Its IUPAC name is 7-chlorothieno[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-chlorothieno[3,2-b]pyridine-2-carboxylic acid
PubChem CID11276033
Molecular FormulaC8H4ClNO2S
Molecular Weight213.65 g/mol
Exact Mass212.97
IUPAC Name7-chlorothieno[3,2-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2nccc(Cl)c2s1
InChIInChI=1S/C8H4ClNO2S/c9-4-1-2-10-5-3-6(8(11)12)13-7(4)5/h1-3H,(H,11,12)
InChIKeyOACQHLMJJRQAPO-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

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Frequently Asked Questions

What is the IUPAC name of 7-chlorothieno[3,2-b]pyridine-2-carboxylic acid?
The IUPAC name of 7-chlorothieno[3,2-b]pyridine-2-carboxylic acid (CID 11276033) is 7-chlorothieno[3,2-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 7-chlorothieno[3,2-b]pyridine-2-carboxylic acid?
The canonical SMILES for 7-chlorothieno[3,2-b]pyridine-2-carboxylic acid is O=C(O)c1cc2nccc(Cl)c2s1.
What is the InChIKey of 7-chlorothieno[3,2-b]pyridine-2-carboxylic acid?
The InChIKey is OACQHLMJJRQAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClNO2S/c9-4-1-2-10-5-3-6(8(11)12)13-7(4)5/h1-3H,(H,11,12).
What are the key properties of 7-chlorothieno[3,2-b]pyridine-2-carboxylic acid?
7-chlorothieno[3,2-b]pyridine-2-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 7-chlorothieno[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 11276033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).