1,3-dimethyl-7-oxidopyrazolo[5,4-b]pyridin-7-ium

C8H9N3O — CID 178124637

IUPAC1,3-dimethyl-7-oxidopyrazolo[5,4-b]pyridin-7-ium
SMILESCc1nn(C)c2c1ccc[n+]2[O-]
InChIInChI=1S/C8H9N3O/c1-6-7-4-3-5-11(12)8(7)10(2)9-6/h3-5H,1-2H3
InChIKeyUHPJRNMUMABQRX-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.52
Rot. Bonds

About 1,3-dimethyl-7-oxidopyrazolo[5,4-b]pyridin-7-ium

1,3-dimethyl-7-oxidopyrazolo[5,4-b]pyridin-7-ium (PubChem CID 178124637) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 1,3-dimethyl-7-oxidopyrazolo[5,4-b]pyridin-7-ium.

Molecular Properties

Compound Name1,3-dimethyl-7-oxidopyrazolo[5,4-b]pyridin-7-ium
PubChem CID178124637
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name1,3-dimethyl-7-oxidopyrazolo[5,4-b]pyridin-7-ium
SMILESCc1nn(C)c2c1ccc[n+]2[O-]
InChIInChI=1S/C8H9N3O/c1-6-7-4-3-5-11(12)8(7)10(2)9-6/h3-5H,1-2H3
InChIKeyUHPJRNMUMABQRX-UHFFFAOYSA-N
XLogP0.52
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.52
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'}

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Related Compounds

ethane;1,3,7-trimethylindazole
CID 171820763
1,3-dimethyl-7-(trifluoromethoxy)indazole
CID 133055459
4-isocyano-8-methyl-10-oxido-5,8-diaza-10-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 58266690
1,3-dimethylindazole-7-carbonitrile
CID 83816263
6-fluoro-1,3-dimethylindazole
CID 59514053
bis(2,3-dimethyl-1-oxidopyridin-1-ium);hydrate
CID 174558723
ethane;8-methyl-1-oxidoquinolin-1-ium
CID 91532902
5-bromo-1-oxidoquinolin-1-ium
CID 59398322
(1,3-dimethylindazol-5-yl)-trimethyl-λ4-sulfane
CID 123597078
ethane;1,3,6-trimethylpyrazolo[5,4-b]pyridine
CID 177008769
CID 178017616
CID 178017616
azane;1,3-dimethylpyrazolo[4,5-c]pyridine
CID 175481142

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7-oxidopyrazolo[5,4-b]pyridin-7-ium?
The IUPAC name of 1,3-dimethyl-7-oxidopyrazolo[5,4-b]pyridin-7-ium (CID 178124637) is 1,3-dimethyl-7-oxidopyrazolo[5,4-b]pyridin-7-ium.
What is the SMILES notation for 1,3-dimethyl-7-oxidopyrazolo[5,4-b]pyridin-7-ium?
The canonical SMILES for 1,3-dimethyl-7-oxidopyrazolo[5,4-b]pyridin-7-ium is Cc1nn(C)c2c1ccc[n+]2[O-].
What is the InChIKey of 1,3-dimethyl-7-oxidopyrazolo[5,4-b]pyridin-7-ium?
The InChIKey is UHPJRNMUMABQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-6-7-4-3-5-11(12)8(7)10(2)9-6/h3-5H,1-2H3.
What are the key properties of 1,3-dimethyl-7-oxidopyrazolo[5,4-b]pyridin-7-ium?
1,3-dimethyl-7-oxidopyrazolo[5,4-b]pyridin-7-ium has a molecular weight of 163.18 g/mol, XLogP of 0.52, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7-oxidopyrazolo[5,4-b]pyridin-7-ium is sourced from PubChem (CID 178124637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).