3-methyl-2-oxido-[1,2]oxazolo[4,5-b]pyridin-2-ium

C7H6N2O2 — CID 14088956

IUPAC3-methyl-2-oxido-[1,2]oxazolo[4,5-b]pyridin-2-ium
SMILESCc1c2ncccc2o[n+]1[O-]
InChIInChI=1S/C7H6N2O2/c1-5-7-6(11-9(5)10)3-2-4-8-7/h2-4H,1H3
InChIKeyCOIBMKKAVDQXTQ-UHFFFAOYSA-N
MW150.14 g/mol
LogP0.77
Rot. Bonds

About 3-methyl-2-oxido-[1,2]oxazolo[4,5-b]pyridin-2-ium

3-methyl-2-oxido-[1,2]oxazolo[4,5-b]pyridin-2-ium (PubChem CID 14088956) has the molecular formula C7H6N2O2 and a molecular weight of 150.14 g/mol. Its IUPAC name is 3-methyl-2-oxido-[1,2]oxazolo[4,5-b]pyridin-2-ium.

Molecular Properties

Compound Name3-methyl-2-oxido-[1,2]oxazolo[4,5-b]pyridin-2-ium
PubChem CID14088956
Molecular FormulaC7H6N2O2
Molecular Weight150.14 g/mol
Exact Mass150.04
IUPAC Name3-methyl-2-oxido-[1,2]oxazolo[4,5-b]pyridin-2-ium
SMILESCc1c2ncccc2o[n+]1[O-]
InChIInChI=1S/C7H6N2O2/c1-5-7-6(11-9(5)10)3-2-4-8-7/h2-4H,1H3
InChIKeyCOIBMKKAVDQXTQ-UHFFFAOYSA-N
XLogP0.77
TPSA52.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxido-[1,2]oxazolo[4,5-b]pyridin-2-ium?
The IUPAC name of 3-methyl-2-oxido-[1,2]oxazolo[4,5-b]pyridin-2-ium (CID 14088956) is 3-methyl-2-oxido-[1,2]oxazolo[4,5-b]pyridin-2-ium.
What is the SMILES notation for 3-methyl-2-oxido-[1,2]oxazolo[4,5-b]pyridin-2-ium?
The canonical SMILES for 3-methyl-2-oxido-[1,2]oxazolo[4,5-b]pyridin-2-ium is Cc1c2ncccc2o[n+]1[O-].
What is the InChIKey of 3-methyl-2-oxido-[1,2]oxazolo[4,5-b]pyridin-2-ium?
The InChIKey is COIBMKKAVDQXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2/c1-5-7-6(11-9(5)10)3-2-4-8-7/h2-4H,1H3.
What are the key properties of 3-methyl-2-oxido-[1,2]oxazolo[4,5-b]pyridin-2-ium?
3-methyl-2-oxido-[1,2]oxazolo[4,5-b]pyridin-2-ium has a molecular weight of 150.14 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxido-[1,2]oxazolo[4,5-b]pyridin-2-ium is sourced from PubChem (CID 14088956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).