3-(thiophen-2-ylsulfanylmethyl)pyridine-2-carboxylic acid

C11H9NO2S2 — CID 63098916

IUPAC3-(thiophen-2-ylsulfanylmethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1CSc1cccs1
InChIInChI=1S/C11H9NO2S2/c13-11(14)10-8(3-1-5-12-10)7-16-9-4-2-6-15-9/h1-6H,7H2,(H,13,14)
InChIKeyFWAOOKOLKKZSFM-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.13
Rot. Bonds4

About 3-(thiophen-2-ylsulfanylmethyl)pyridine-2-carboxylic acid

3-(thiophen-2-ylsulfanylmethyl)pyridine-2-carboxylic acid (PubChem CID 63098916) has the molecular formula C11H9NO2S2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(thiophen-2-ylsulfanylmethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(thiophen-2-ylsulfanylmethyl)pyridine-2-carboxylic acid
PubChem CID63098916
Molecular FormulaC11H9NO2S2
Molecular Weight251.33 g/mol
Exact Mass251.01
IUPAC Name3-(thiophen-2-ylsulfanylmethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1CSc1cccs1
InChIInChI=1S/C11H9NO2S2/c13-11(14)10-8(3-1-5-12-10)7-16-9-4-2-6-15-9/h1-6H,7H2,(H,13,14)
InChIKeyFWAOOKOLKKZSFM-UHFFFAOYSA-N
XLogP3.13
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(thiophen-2-ylsulfanylmethyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(thiophen-2-ylsulfanylmethyl)pyridine-2-carboxylic acid (CID 63098916) is 3-(thiophen-2-ylsulfanylmethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(thiophen-2-ylsulfanylmethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(thiophen-2-ylsulfanylmethyl)pyridine-2-carboxylic acid is O=C(O)c1ncccc1CSc1cccs1.
What is the InChIKey of 3-(thiophen-2-ylsulfanylmethyl)pyridine-2-carboxylic acid?
The InChIKey is FWAOOKOLKKZSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S2/c13-11(14)10-8(3-1-5-12-10)7-16-9-4-2-6-15-9/h1-6H,7H2,(H,13,14).
What are the key properties of 3-(thiophen-2-ylsulfanylmethyl)pyridine-2-carboxylic acid?
3-(thiophen-2-ylsulfanylmethyl)pyridine-2-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-2-ylsulfanylmethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 63098916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).