1-methylpyridin-1-ium;sulfuric acid

C6H10NO4S+ — CID 67146058

IUPAC1-methylpyridin-1-ium;sulfuric acid
SMILESC[n+]1ccccc1.O=S(=O)(O)O
InChIInChI=1S/C6H8N.H2O4S/c1-7-5-3-2-4-6-7;1-5(2,3)4/h2-6H,1H3;(H2,1,2,3,4)/q+1;
InChIKeyLYUREHFPRXUSSO-UHFFFAOYSA-N
MW192.22 g/mol
LogP-0.14
Rot. Bonds

About 1-methylpyridin-1-ium;sulfuric acid

1-methylpyridin-1-ium;sulfuric acid (PubChem CID 67146058) has the molecular formula C6H10NO4S+ and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-methylpyridin-1-ium;sulfuric acid.

Molecular Properties

Compound Name1-methylpyridin-1-ium;sulfuric acid
PubChem CID67146058
Molecular FormulaC6H10NO4S+
Molecular Weight192.22 g/mol
Exact Mass192.03
IUPAC Name1-methylpyridin-1-ium;sulfuric acid
SMILESC[n+]1ccccc1.O=S(=O)(O)O
InChIInChI=1S/C6H8N.H2O4S/c1-7-5-3-2-4-6-7;1-5(2,3)4/h2-6H,1H3;(H2,1,2,3,4)/q+1;
InChIKeyLYUREHFPRXUSSO-UHFFFAOYSA-N
XLogP-0.14
TPSA78.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyridin-1-ium;sulfuric acid?
The IUPAC name of 1-methylpyridin-1-ium;sulfuric acid (CID 67146058) is 1-methylpyridin-1-ium;sulfuric acid.
What is the SMILES notation for 1-methylpyridin-1-ium;sulfuric acid?
The canonical SMILES for 1-methylpyridin-1-ium;sulfuric acid is C[n+]1ccccc1.O=S(=O)(O)O.
What is the InChIKey of 1-methylpyridin-1-ium;sulfuric acid?
The InChIKey is LYUREHFPRXUSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N.H2O4S/c1-7-5-3-2-4-6-7;1-5(2,3)4/h2-6H,1H3;(H2,1,2,3,4)/q+1;.
What are the key properties of 1-methylpyridin-1-ium;sulfuric acid?
1-methylpyridin-1-ium;sulfuric acid has a molecular weight of 192.22 g/mol, XLogP of -0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyridin-1-ium;sulfuric acid is sourced from PubChem (CID 67146058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).