2-(3-sulfanyl-2-pyridinyl)acetic acid

C7H7NO2S — CID 91518521

IUPAC2-(3-sulfanyl-2-pyridinyl)acetic acid
SMILESO=C(O)Cc1ncccc1S
InChIInChI=1S/C7H7NO2S/c9-7(10)4-5-6(11)2-1-3-8-5/h1-3,11H,4H2,(H,9,10)
InChIKeyZUKBAKZRAGUODG-UHFFFAOYSA-N
MW169.21 g/mol
LogP1.00
Rot. Bonds2

About 2-(3-sulfanyl-2-pyridinyl)acetic acid

2-(3-sulfanyl-2-pyridinyl)acetic acid (PubChem CID 91518521) has the molecular formula C7H7NO2S and a molecular weight of 169.21 g/mol. Its IUPAC name is 2-(3-sulfanyl-2-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(3-sulfanyl-2-pyridinyl)acetic acid
PubChem CID91518521
Molecular FormulaC7H7NO2S
Molecular Weight169.21 g/mol
Exact Mass169.02
IUPAC Name2-(3-sulfanyl-2-pyridinyl)acetic acid
SMILESO=C(O)Cc1ncccc1S
InChIInChI=1S/C7H7NO2S/c9-7(10)4-5-6(11)2-1-3-8-5/h1-3,11H,4H2,(H,9,10)
InChIKeyZUKBAKZRAGUODG-UHFFFAOYSA-N
XLogP1.00
TPSA50.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-sulfanyl-2-pyridinyl)acetic acid?
The IUPAC name of 2-(3-sulfanyl-2-pyridinyl)acetic acid (CID 91518521) is 2-(3-sulfanyl-2-pyridinyl)acetic acid.
What is the SMILES notation for 2-(3-sulfanyl-2-pyridinyl)acetic acid?
The canonical SMILES for 2-(3-sulfanyl-2-pyridinyl)acetic acid is O=C(O)Cc1ncccc1S.
What is the InChIKey of 2-(3-sulfanyl-2-pyridinyl)acetic acid?
The InChIKey is ZUKBAKZRAGUODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2S/c9-7(10)4-5-6(11)2-1-3-8-5/h1-3,11H,4H2,(H,9,10).
What are the key properties of 2-(3-sulfanyl-2-pyridinyl)acetic acid?
2-(3-sulfanyl-2-pyridinyl)acetic acid has a molecular weight of 169.21 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-sulfanyl-2-pyridinyl)acetic acid is sourced from PubChem (CID 91518521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).