2-methyl-1-oxidopyridin-1-ium;pyridine

C11H12N2O — CID 160954375

IUPAC2-methyl-1-oxidopyridin-1-ium;pyridine
SMILESCc1cccc[n+]1[O-].c1ccncc1
InChIInChI=1S/C6H7NO.C5H5N/c1-6-4-2-3-5-7(6)8;1-2-4-6-5-3-1/h2-5H,1H3;1-5H
InChIKeySWENWGQHRDXDHX-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.71
Rot. Bonds

About 2-methyl-1-oxidopyridin-1-ium;pyridine

2-methyl-1-oxidopyridin-1-ium;pyridine (PubChem CID 160954375) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-methyl-1-oxidopyridin-1-ium;pyridine.

Molecular Properties

Compound Name2-methyl-1-oxidopyridin-1-ium;pyridine
PubChem CID160954375
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-methyl-1-oxidopyridin-1-ium;pyridine
SMILESCc1cccc[n+]1[O-].c1ccncc1
InChIInChI=1S/C6H7NO.C5H5N/c1-6-4-2-3-5-7(6)8;1-2-4-6-5-3-1/h2-5H,1H3;1-5H
InChIKeySWENWGQHRDXDHX-UHFFFAOYSA-N
XLogP1.71
TPSA39.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-oxidopyridin-1-ium;propane
CID 91172526
ethane;methane;1-oxidopyridin-1-ium;pyridine
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ethane;bis(pyridine);toluene
CID 90934596
CID 158771244
CID 158771244
iron(2+);bis(2-methylphenolate);tris(pyridine)
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bis(pyridine);1,4-xylene;hydrobromide
CID 70404637
2-methylpyridine;pyridine
CID 19753594
sodium;methanolate;pyridine
CID 23668090
1,1-dioxo-1,2-benzothiazol-3-one;2-methyl-1-oxidopyridin-1-ium
CID 139186753
N,N-diethylethanamine;pyridine;toluene;hydrate
CID 66718455
pyridine
CID 67755510
pyridine
CID 160878650

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-oxidopyridin-1-ium;pyridine?
The IUPAC name of 2-methyl-1-oxidopyridin-1-ium;pyridine (CID 160954375) is 2-methyl-1-oxidopyridin-1-ium;pyridine.
What is the SMILES notation for 2-methyl-1-oxidopyridin-1-ium;pyridine?
The canonical SMILES for 2-methyl-1-oxidopyridin-1-ium;pyridine is Cc1cccc[n+]1[O-].c1ccncc1.
What is the InChIKey of 2-methyl-1-oxidopyridin-1-ium;pyridine?
The InChIKey is SWENWGQHRDXDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO.C5H5N/c1-6-4-2-3-5-7(6)8;1-2-4-6-5-3-1/h2-5H,1H3;1-5H.
What are the key properties of 2-methyl-1-oxidopyridin-1-ium;pyridine?
2-methyl-1-oxidopyridin-1-ium;pyridine has a molecular weight of 188.23 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-oxidopyridin-1-ium;pyridine is sourced from PubChem (CID 160954375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).