2-methylsulfanyl-6-thiophen-2-ylpyridine-3-carboxylic acid

C11H9NO2S2 — CID 82119497

IUPAC2-methylsulfanyl-6-thiophen-2-ylpyridine-3-carboxylic acid
SMILESCSc1nc(-c2cccs2)ccc1C(=O)O
InChIInChI=1S/C11H9NO2S2/c1-15-10-7(11(13)14)4-5-8(12-10)9-3-2-6-16-9/h2-6H,1H3,(H,13,14)
InChIKeyBJYNEUKZORPCMD-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.23
Rot. Bonds3

About 2-methylsulfanyl-6-thiophen-2-ylpyridine-3-carboxylic acid

2-methylsulfanyl-6-thiophen-2-ylpyridine-3-carboxylic acid (PubChem CID 82119497) has the molecular formula C11H9NO2S2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-methylsulfanyl-6-thiophen-2-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methylsulfanyl-6-thiophen-2-ylpyridine-3-carboxylic acid
PubChem CID82119497
Molecular FormulaC11H9NO2S2
Molecular Weight251.33 g/mol
Exact Mass251.01
IUPAC Name2-methylsulfanyl-6-thiophen-2-ylpyridine-3-carboxylic acid
SMILESCSc1nc(-c2cccs2)ccc1C(=O)O
InChIInChI=1S/C11H9NO2S2/c1-15-10-7(11(13)14)4-5-8(12-10)9-3-2-6-16-9/h2-6H,1H3,(H,13,14)
InChIKeyBJYNEUKZORPCMD-UHFFFAOYSA-N
XLogP3.23
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-6-thiophen-2-ylpyridine-3-carboxylic acid?
The IUPAC name of 2-methylsulfanyl-6-thiophen-2-ylpyridine-3-carboxylic acid (CID 82119497) is 2-methylsulfanyl-6-thiophen-2-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-methylsulfanyl-6-thiophen-2-ylpyridine-3-carboxylic acid?
The canonical SMILES for 2-methylsulfanyl-6-thiophen-2-ylpyridine-3-carboxylic acid is CSc1nc(-c2cccs2)ccc1C(=O)O.
What is the InChIKey of 2-methylsulfanyl-6-thiophen-2-ylpyridine-3-carboxylic acid?
The InChIKey is BJYNEUKZORPCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S2/c1-15-10-7(11(13)14)4-5-8(12-10)9-3-2-6-16-9/h2-6H,1H3,(H,13,14).
What are the key properties of 2-methylsulfanyl-6-thiophen-2-ylpyridine-3-carboxylic acid?
2-methylsulfanyl-6-thiophen-2-ylpyridine-3-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-6-thiophen-2-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 82119497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).