sodium 2-amino-5-methylpyridine-3-sulfinate

C6H7N2NaO2S — CID 139269832

IUPACsodium 2-amino-5-methylpyridine-3-sulfinate
SMILESCc1cnc(N)c(S(=O)[O-])c1.[Na+]
InChIInChI=1S/C6H8N2O2S.Na/c1-4-2-5(11(9)10)6(7)8-3-4;/h2-3H,1H3,(H2,7,8)(H,9,10);/q;+1/p-1
InChIKeyWMLOXVLIYJINDM-UHFFFAOYSA-M
MW194.19 g/mol
LogP-2.79
Rot. Bonds1

About sodium 2-amino-5-methylpyridine-3-sulfinate

sodium 2-amino-5-methylpyridine-3-sulfinate (PubChem CID 139269832) has the molecular formula C6H7N2NaO2S and a molecular weight of 194.19 g/mol. Its IUPAC name is sodium 2-amino-5-methylpyridine-3-sulfinate.

Molecular Properties

Compound Namesodium 2-amino-5-methylpyridine-3-sulfinate
PubChem CID139269832
Molecular FormulaC6H7N2NaO2S
Molecular Weight194.19 g/mol
Exact Mass194.01
IUPAC Namesodium 2-amino-5-methylpyridine-3-sulfinate
SMILESCc1cnc(N)c(S(=O)[O-])c1.[Na+]
InChIInChI=1S/C6H8N2O2S.Na/c1-4-2-5(11(9)10)6(7)8-3-4;/h2-3H,1H3,(H2,7,8)(H,9,10);/q;+1/p-1
InChIKeyWMLOXVLIYJINDM-UHFFFAOYSA-M
XLogP-2.79
TPSA79.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-2.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 2-amino-5-methylpyridine-3-sulfinate?
The IUPAC name of sodium 2-amino-5-methylpyridine-3-sulfinate (CID 139269832) is sodium 2-amino-5-methylpyridine-3-sulfinate.
What is the SMILES notation for sodium 2-amino-5-methylpyridine-3-sulfinate?
The canonical SMILES for sodium 2-amino-5-methylpyridine-3-sulfinate is Cc1cnc(N)c(S(=O)[O-])c1.[Na+].
What is the InChIKey of sodium 2-amino-5-methylpyridine-3-sulfinate?
The InChIKey is WMLOXVLIYJINDM-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8N2O2S.Na/c1-4-2-5(11(9)10)6(7)8-3-4;/h2-3H,1H3,(H2,7,8)(H,9,10);/q;+1/p-1.
What are the key properties of sodium 2-amino-5-methylpyridine-3-sulfinate?
sodium 2-amino-5-methylpyridine-3-sulfinate has a molecular weight of 194.19 g/mol, XLogP of -2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-amino-5-methylpyridine-3-sulfinate is sourced from PubChem (CID 139269832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).