bis(4-oxo-1H-pyridin-3-yl) sulfite

C10H8N2O5S — CID 175424984

IUPACbis(4-oxo-1H-pyridin-3-yl) sulfite
SMILESO=c1cc[nH]cc1OS(=O)Oc1c[nH]ccc1=O
InChIInChI=1S/C10H8N2O5S/c13-7-1-3-11-5-9(7)16-18(15)17-10-6-12-4-2-8(10)14/h1-6H,(H,11,13)(H,12,14)
InChIKeySLYBTYZURKLMOX-UHFFFAOYSA-N
MW268.25 g/mol
LogP0.10
Rot. Bonds4

About bis(4-oxo-1H-pyridin-3-yl) sulfite

bis(4-oxo-1H-pyridin-3-yl) sulfite (PubChem CID 175424984) has the molecular formula C10H8N2O5S and a molecular weight of 268.25 g/mol. Its IUPAC name is bis(4-oxo-1H-pyridin-3-yl) sulfite.

Molecular Properties

Compound Namebis(4-oxo-1H-pyridin-3-yl) sulfite
PubChem CID175424984
Molecular FormulaC10H8N2O5S
Molecular Weight268.25 g/mol
Exact Mass268.02
IUPAC Namebis(4-oxo-1H-pyridin-3-yl) sulfite
SMILESO=c1cc[nH]cc1OS(=O)Oc1c[nH]ccc1=O
InChIInChI=1S/C10H8N2O5S/c13-7-1-3-11-5-9(7)16-18(15)17-10-6-12-4-2-8(10)14/h1-6H,(H,11,13)(H,12,14)
InChIKeySLYBTYZURKLMOX-UHFFFAOYSA-N
XLogP0.10
TPSA101.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(4-oxo-1H-pyridin-3-yl) sulfite?
The IUPAC name of bis(4-oxo-1H-pyridin-3-yl) sulfite (CID 175424984) is bis(4-oxo-1H-pyridin-3-yl) sulfite.
What is the SMILES notation for bis(4-oxo-1H-pyridin-3-yl) sulfite?
The canonical SMILES for bis(4-oxo-1H-pyridin-3-yl) sulfite is O=c1cc[nH]cc1OS(=O)Oc1c[nH]ccc1=O.
What is the InChIKey of bis(4-oxo-1H-pyridin-3-yl) sulfite?
The InChIKey is SLYBTYZURKLMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O5S/c13-7-1-3-11-5-9(7)16-18(15)17-10-6-12-4-2-8(10)14/h1-6H,(H,11,13)(H,12,14).
What are the key properties of bis(4-oxo-1H-pyridin-3-yl) sulfite?
bis(4-oxo-1H-pyridin-3-yl) sulfite has a molecular weight of 268.25 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-oxo-1H-pyridin-3-yl) sulfite is sourced from PubChem (CID 175424984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).