6-amino-2-methylpyridine-3-sulfonic acid

C6H8N2O3S — CID 97034584

IUPAC6-amino-2-methylpyridine-3-sulfonic acid
SMILESCc1nc(N)ccc1S(=O)(=O)O
InChIInChI=1S/C6H8N2O3S/c1-4-5(12(9,10)11)2-3-6(7)8-4/h2-3H,1H3,(H2,7,8)(H,9,10,11)
InChIKeyBXPHCPUGMREUCU-UHFFFAOYSA-N
MW188.21 g/mol
LogP0.22
Rot. Bonds1

About 6-amino-2-methylpyridine-3-sulfonic acid

6-amino-2-methylpyridine-3-sulfonic acid (PubChem CID 97034584) has the molecular formula C6H8N2O3S and a molecular weight of 188.21 g/mol. Its IUPAC name is 6-amino-2-methylpyridine-3-sulfonic acid.

Molecular Properties

Compound Name6-amino-2-methylpyridine-3-sulfonic acid
PubChem CID97034584
Molecular FormulaC6H8N2O3S
Molecular Weight188.21 g/mol
Exact Mass188.03
IUPAC Name6-amino-2-methylpyridine-3-sulfonic acid
SMILESCc1nc(N)ccc1S(=O)(=O)O
InChIInChI=1S/C6H8N2O3S/c1-4-5(12(9,10)11)2-3-6(7)8-4/h2-3H,1H3,(H2,7,8)(H,9,10,11)
InChIKeyBXPHCPUGMREUCU-UHFFFAOYSA-N
XLogP0.22
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methylpyridine-3-sulfonic acid?
The IUPAC name of 6-amino-2-methylpyridine-3-sulfonic acid (CID 97034584) is 6-amino-2-methylpyridine-3-sulfonic acid.
What is the SMILES notation for 6-amino-2-methylpyridine-3-sulfonic acid?
The canonical SMILES for 6-amino-2-methylpyridine-3-sulfonic acid is Cc1nc(N)ccc1S(=O)(=O)O.
What is the InChIKey of 6-amino-2-methylpyridine-3-sulfonic acid?
The InChIKey is BXPHCPUGMREUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3S/c1-4-5(12(9,10)11)2-3-6(7)8-4/h2-3H,1H3,(H2,7,8)(H,9,10,11).
What are the key properties of 6-amino-2-methylpyridine-3-sulfonic acid?
6-amino-2-methylpyridine-3-sulfonic acid has a molecular weight of 188.21 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methylpyridine-3-sulfonic acid is sourced from PubChem (CID 97034584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).