methanesulfonic acid;3-(3-methylphenoxy)pyridine

C13H15NO4S — CID 117068642

IUPACmethanesulfonic acid;3-(3-methylphenoxy)pyridine
SMILESCS(=O)(=O)O.Cc1cccc(Oc2cccnc2)c1
InChIInChI=1S/C12H11NO.CH4O3S/c1-10-4-2-5-11(8-10)14-12-6-3-7-13-9-12;1-5(2,3)4/h2-9H,1H3;1H3,(H,2,3,4)
InChIKeyFMOWQCQCPXEBNL-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.69
Rot. Bonds2

About methanesulfonic acid;3-(3-methylphenoxy)pyridine

methanesulfonic acid;3-(3-methylphenoxy)pyridine (PubChem CID 117068642) has the molecular formula C13H15NO4S and a molecular weight of 281.33 g/mol. Its IUPAC name is methanesulfonic acid;3-(3-methylphenoxy)pyridine.

Molecular Properties

Compound Namemethanesulfonic acid;3-(3-methylphenoxy)pyridine
PubChem CID117068642
Molecular FormulaC13H15NO4S
Molecular Weight281.33 g/mol
Exact Mass281.07
IUPAC Namemethanesulfonic acid;3-(3-methylphenoxy)pyridine
SMILESCS(=O)(=O)O.Cc1cccc(Oc2cccnc2)c1
InChIInChI=1S/C12H11NO.CH4O3S/c1-10-4-2-5-11(8-10)14-12-6-3-7-13-9-12;1-5(2,3)4/h2-9H,1H3;1H3,(H,2,3,4)
InChIKeyFMOWQCQCPXEBNL-UHFFFAOYSA-N
XLogP2.69
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methanesulfonic acid;3-(3-methylphenoxy)pyridine 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

N-methylacetamide;4-(3-methylphenoxy)pyridine
CID 142886690
1-methyl-3-[3-[3-(3-methylphenoxy)phenyl]sulfonylphenoxy]benzene
CID 54209209
formic acid;2-[(3-methylanilino)methyl]-4-pyridin-3-yloxybenzenethiol
CID 142303722
2-methyl-4-pyridin-3-yloxyaniline;hydrochloride
CID 156593409
4-(3-methylphenoxy)-1,2-thiazole
CID 117233619
3-(3-methyl-4-nitrophenoxy)pyridine
CID 19042898
2-(3-methylphenoxy)-N-pyridin-3-ylpropanamide
CID 6471992
N-(3-methylphenyl)-2-pyridin-3-yloxyacetamide
CID 110856684
1-methyl-3-phenoxybenzene;hydrochloride
CID 175116002
1-methyl-3-[4-(4-methylphenyl)sulfonylphenoxy]benzene
CID 786799
2-methyl-4-pyridin-3-yloxybenzaldehyde
CID 62135095
1-chloro-3-(3-methylphenoxy)benzene;ethane
CID 153343625

Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;3-(3-methylphenoxy)pyridine?
The IUPAC name of methanesulfonic acid;3-(3-methylphenoxy)pyridine (CID 117068642) is methanesulfonic acid;3-(3-methylphenoxy)pyridine.
What is the SMILES notation for methanesulfonic acid;3-(3-methylphenoxy)pyridine?
The canonical SMILES for methanesulfonic acid;3-(3-methylphenoxy)pyridine is CS(=O)(=O)O.Cc1cccc(Oc2cccnc2)c1.
What is the InChIKey of methanesulfonic acid;3-(3-methylphenoxy)pyridine?
The InChIKey is FMOWQCQCPXEBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO.CH4O3S/c1-10-4-2-5-11(8-10)14-12-6-3-7-13-9-12;1-5(2,3)4/h2-9H,1H3;1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;3-(3-methylphenoxy)pyridine?
methanesulfonic acid;3-(3-methylphenoxy)pyridine has a molecular weight of 281.33 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;3-(3-methylphenoxy)pyridine is sourced from PubChem (CID 117068642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).