2-[6-(pyridin-2-yldisulfanyl)-2-pyridinyl]acetic acid

C12H10N2O2S2 — CID 91874899

IUPAC2-[6-(pyridin-2-yldisulfanyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1cccc(SSc2ccccn2)n1
InChIInChI=1S/C12H10N2O2S2/c15-12(16)8-9-4-3-6-11(14-9)18-17-10-5-1-2-7-13-10/h1-7H,8H2,(H,15,16)
InChIKeyWYRRXUWXDRHZNK-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.90
Rot. Bonds5

About 2-[6-(pyridin-2-yldisulfanyl)-2-pyridinyl]acetic acid

2-[6-(pyridin-2-yldisulfanyl)-2-pyridinyl]acetic acid (PubChem CID 91874899) has the molecular formula C12H10N2O2S2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[6-(pyridin-2-yldisulfanyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-(pyridin-2-yldisulfanyl)-2-pyridinyl]acetic acid
PubChem CID91874899
Molecular FormulaC12H10N2O2S2
Molecular Weight278.36 g/mol
Exact Mass278.02
IUPAC Name2-[6-(pyridin-2-yldisulfanyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1cccc(SSc2ccccn2)n1
InChIInChI=1S/C12H10N2O2S2/c15-12(16)8-9-4-3-6-11(14-9)18-17-10-5-1-2-7-13-10/h1-7H,8H2,(H,15,16)
InChIKeyWYRRXUWXDRHZNK-UHFFFAOYSA-N
XLogP2.90
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 131857449
CID 131857449
2-(pyridin-2-yldisulfanyl)pyridine;tin(4+);tetrachloride
CID 21452483
2-chloro-6-(pyridin-2-yldisulfanyl)pyridine
CID 91874893
ethene;2-(pyridin-2-yldisulfanyl)pyridine
CID 130237828
2-[6-(fluoromethyl)-2-pyridinyl]acetic acid
CID 84765522
4-(pyridin-2-yltrisulfanyl)butanoic acid
CID 164606651
CID 131847838
CID 131847838
1-(pyridin-2-yldisulfanyl)propan-2-one
CID 88565959
2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetic acid
CID 82131126
ethyl acetate;2-pyridin-2-ylacetic acid
CID 70044808
2-pyridin-2-ylsulfanylethyl hydrogen carbonate
CID 138511771
2-[6-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 53401513

Frequently Asked Questions

What is the IUPAC name of 2-[6-(pyridin-2-yldisulfanyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[6-(pyridin-2-yldisulfanyl)-2-pyridinyl]acetic acid (CID 91874899) is 2-[6-(pyridin-2-yldisulfanyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-(pyridin-2-yldisulfanyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-(pyridin-2-yldisulfanyl)-2-pyridinyl]acetic acid is O=C(O)Cc1cccc(SSc2ccccn2)n1.
What is the InChIKey of 2-[6-(pyridin-2-yldisulfanyl)-2-pyridinyl]acetic acid?
The InChIKey is WYRRXUWXDRHZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S2/c15-12(16)8-9-4-3-6-11(14-9)18-17-10-5-1-2-7-13-10/h1-7H,8H2,(H,15,16).
What are the key properties of 2-[6-(pyridin-2-yldisulfanyl)-2-pyridinyl]acetic acid?
2-[6-(pyridin-2-yldisulfanyl)-2-pyridinyl]acetic acid has a molecular weight of 278.36 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(pyridin-2-yldisulfanyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 91874899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).