4-chlorothieno[2,3-c]pyridine-2-carboxylic acid

C8H4ClNO2S — CID 18516108

IUPAC4-chlorothieno[2,3-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2c(Cl)cncc2s1
InChIInChI=1S/C8H4ClNO2S/c9-5-2-10-3-7-4(5)1-6(13-7)8(11)12/h1-3H,(H,11,12)
InChIKeyLLXSBUMTRUIFAL-UHFFFAOYSA-N
MW213.65 g/mol
LogP2.65
Rot. Bonds1

About 4-chlorothieno[2,3-c]pyridine-2-carboxylic acid

4-chlorothieno[2,3-c]pyridine-2-carboxylic acid (PubChem CID 18516108) has the molecular formula C8H4ClNO2S and a molecular weight of 213.65 g/mol. Its IUPAC name is 4-chlorothieno[2,3-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-chlorothieno[2,3-c]pyridine-2-carboxylic acid
PubChem CID18516108
Molecular FormulaC8H4ClNO2S
Molecular Weight213.65 g/mol
Exact Mass212.97
IUPAC Name4-chlorothieno[2,3-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2c(Cl)cncc2s1
InChIInChI=1S/C8H4ClNO2S/c9-5-2-10-3-7-4(5)1-6(13-7)8(11)12/h1-3H,(H,11,12)
InChIKeyLLXSBUMTRUIFAL-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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Related Compounds

4-Chloro-thieno[2,3-c]pyridine-2-carboxylic acid amide
CID 10632359
4-(p-Tolylthio)thieno[2,3-c]pyridine-2-carboxylic acid
CID 9948311
4-Phenylthieno[2,3-c]pyridine-2-carboxylic acid
CID 49830794
4-Bromothieno(2,3-c)pyridine-2-carboxylic acid
CID 20594208
4-Fluorothieno[2,3-c]pyridine-2-carboxylic acid
CID 66760717
4-(3-Fluorophenyl)thieno[2,3-c]pyridine-2-carboxylic acid
CID 49830793
7-Chlorothieno[3,2-b]pyridine-2-carboxylic acid
CID 11276033
Thieno[2,3-c]pyridine-5-carboxylic acid
CID 12277675
Thieno[3,2-c]pyridine-2-carboxylic acid
CID 13580293
Thieno[3,2-c]pyridine-3-carboxylic acid
CID 14758065
3-Chlorothieno[2,3-b]pyridine-2-carboxylic acid
CID 16640112
Thieno[2,3-c]pyridine-4-carboxylic acid
CID 20244392

Frequently Asked Questions

What is the IUPAC name of 4-chlorothieno[2,3-c]pyridine-2-carboxylic acid?
The IUPAC name of 4-chlorothieno[2,3-c]pyridine-2-carboxylic acid (CID 18516108) is 4-chlorothieno[2,3-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-chlorothieno[2,3-c]pyridine-2-carboxylic acid?
The canonical SMILES for 4-chlorothieno[2,3-c]pyridine-2-carboxylic acid is O=C(O)c1cc2c(Cl)cncc2s1.
What is the InChIKey of 4-chlorothieno[2,3-c]pyridine-2-carboxylic acid?
The InChIKey is LLXSBUMTRUIFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClNO2S/c9-5-2-10-3-7-4(5)1-6(13-7)8(11)12/h1-3H,(H,11,12).
What are the key properties of 4-chlorothieno[2,3-c]pyridine-2-carboxylic acid?
4-chlorothieno[2,3-c]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 4-chlorothieno[2,3-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 18516108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).