2-methyl-1-oxido-3-pyridin-2-yloxypyridin-1-ium

C11H10N2O2 — CID 54108423

IUPAC2-methyl-1-oxido-3-pyridin-2-yloxypyridin-1-ium
SMILESCc1c(Oc2ccccn2)ccc[n+]1[O-]
InChIInChI=1S/C11H10N2O2/c1-9-10(5-4-8-13(9)14)15-11-6-2-3-7-12-11/h2-8H,1H3
InChIKeyJSUPWKUSVLPVSW-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.82
Rot. Bonds2

About 2-methyl-1-oxido-3-pyridin-2-yloxypyridin-1-ium

2-methyl-1-oxido-3-pyridin-2-yloxypyridin-1-ium (PubChem CID 54108423) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-methyl-1-oxido-3-pyridin-2-yloxypyridin-1-ium.

Molecular Properties

Compound Name2-methyl-1-oxido-3-pyridin-2-yloxypyridin-1-ium
PubChem CID54108423
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2-methyl-1-oxido-3-pyridin-2-yloxypyridin-1-ium
SMILESCc1c(Oc2ccccn2)ccc[n+]1[O-]
InChIInChI=1S/C11H10N2O2/c1-9-10(5-4-8-13(9)14)15-11-6-2-3-7-12-11/h2-8H,1H3
InChIKeyJSUPWKUSVLPVSW-UHFFFAOYSA-N
XLogP1.82
TPSA49.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-1-oxido-3-pyridin-2-yloxypyridin-1-ium 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-methyl-8-pyridin-2-yloxyquinoline
CID 23934989
3-methyl-4-pyridin-2-yloxyaniline
CID 69194589
ethane;2-phenoxypyridine
CID 90835857
3-methyl-2-pyridin-2-yloxypyridine
CID 67923794
2-(2-phenylmethoxyphenoxy)pyridine
CID 19835584
bicyclo[2.2.0]hexa-1,3,5-triene;2-(2-nitrophenoxy)pyridine
CID 174798016
N-(2-pyridin-2-yloxyphenyl)pyridin-2-amine
CID 155146447
2-methoxypyridine
CID 71774587
4-methyl-3-pyridin-2-yloxybenzoic acid
CID 55031137
2-nitro-3-pyridin-2-yloxyphenol
CID 19008594
2-(2-pyridin-2-yloxyphenoxy)but-2-enoic acid
CID 70557926
2-(3-methoxy-4-methylphenoxy)pyridine
CID 118928199

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-oxido-3-pyridin-2-yloxypyridin-1-ium?
The IUPAC name of 2-methyl-1-oxido-3-pyridin-2-yloxypyridin-1-ium (CID 54108423) is 2-methyl-1-oxido-3-pyridin-2-yloxypyridin-1-ium.
What is the SMILES notation for 2-methyl-1-oxido-3-pyridin-2-yloxypyridin-1-ium?
The canonical SMILES for 2-methyl-1-oxido-3-pyridin-2-yloxypyridin-1-ium is Cc1c(Oc2ccccn2)ccc[n+]1[O-].
What is the InChIKey of 2-methyl-1-oxido-3-pyridin-2-yloxypyridin-1-ium?
The InChIKey is JSUPWKUSVLPVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-9-10(5-4-8-13(9)14)15-11-6-2-3-7-12-11/h2-8H,1H3.
What are the key properties of 2-methyl-1-oxido-3-pyridin-2-yloxypyridin-1-ium?
2-methyl-1-oxido-3-pyridin-2-yloxypyridin-1-ium has a molecular weight of 202.21 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-oxido-3-pyridin-2-yloxypyridin-1-ium is sourced from PubChem (CID 54108423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).