2-ethylpyridine;methanesulfonic acid

C8H13NO3S — CID 86038816

IUPAC2-ethylpyridine;methanesulfonic acid
SMILESCCc1ccccn1.CS(=O)(=O)O
InChIInChI=1S/C7H9N.CH4O3S/c1-2-7-5-3-4-6-8-7;1-5(2,3)4/h3-6H,2H2,1H3;1H3,(H,2,3,4)
InChIKeyYJDKMENIYQMMHT-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.15
Rot. Bonds1

About 2-ethylpyridine;methanesulfonic acid

2-ethylpyridine;methanesulfonic acid (PubChem CID 86038816) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is 2-ethylpyridine;methanesulfonic acid.

Molecular Properties

Compound Name2-ethylpyridine;methanesulfonic acid
PubChem CID86038816
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name2-ethylpyridine;methanesulfonic acid
SMILESCCc1ccccn1.CS(=O)(=O)O
InChIInChI=1S/C7H9N.CH4O3S/c1-2-7-5-3-4-6-8-7;1-5(2,3)4/h3-6H,2H2,1H3;1H3,(H,2,3,4)
InChIKeyYJDKMENIYQMMHT-UHFFFAOYSA-N
XLogP1.15
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethylpyridine;methanesulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethylpyridine;sulfane
CID 67363352
ethane;2-ethylpyridine
CID 91102000
ethane;2-ethylpyridine;propan-2-one
CID 91062133
acetic acid;2-ethylpyridine
CID 70072313
2-ethylpyridine;sulfurous acid
CID 174743952
acetylene;2-ethylpyridine
CID 145358493
ethane;2-ethylpyridine;methane
CID 142439308
2-ethylpyridine;2-methylpyridine
CID 19020939
acetic acid;2-(methylsulfonylmethyl)pyridine
CID 174445775
pyridin-2-ylmethanesulfonyl chloride
CID 3707521
2-(pyridin-2-ylmethyl)guanidine;sulfuric acid
CID 13371455
1-oxo-1-(pyridin-2-ylmethylamino)butane-2-sulfonic acid
CID 142553634

Frequently Asked Questions

What is the IUPAC name of 2-ethylpyridine;methanesulfonic acid?
The IUPAC name of 2-ethylpyridine;methanesulfonic acid (CID 86038816) is 2-ethylpyridine;methanesulfonic acid.
What is the SMILES notation for 2-ethylpyridine;methanesulfonic acid?
The canonical SMILES for 2-ethylpyridine;methanesulfonic acid is CCc1ccccn1.CS(=O)(=O)O.
What is the InChIKey of 2-ethylpyridine;methanesulfonic acid?
The InChIKey is YJDKMENIYQMMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.CH4O3S/c1-2-7-5-3-4-6-8-7;1-5(2,3)4/h3-6H,2H2,1H3;1H3,(H,2,3,4).
What are the key properties of 2-ethylpyridine;methanesulfonic acid?
2-ethylpyridine;methanesulfonic acid has a molecular weight of 203.26 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylpyridine;methanesulfonic acid is sourced from PubChem (CID 86038816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).