1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one

C8H8N4O3 — CID 564831

IUPAC1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(C)c2nc([N+](=O)[O-])ccc21
InChIInChI=1S/C8H8N4O3/c1-10-5-3-4-6(12(14)15)9-7(5)11(2)8(10)13/h3-4H,1-2H3
InChIKeyJSMOQPGLEWVDLR-UHFFFAOYSA-N
MW208.18 g/mol
LogP0.18
Rot. Bonds1

About 1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one

1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one (PubChem CID 564831) has the molecular formula C8H8N4O3 and a molecular weight of 208.18 g/mol. Its IUPAC name is 1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one
PubChem CID564831
Molecular FormulaC8H8N4O3
Molecular Weight208.18 g/mol
Exact Mass208.06
IUPAC Name1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(C)c2nc([N+](=O)[O-])ccc21
InChIInChI=1S/C8H8N4O3/c1-10-5-3-4-6(12(14)15)9-7(5)11(2)8(10)13/h3-4H,1-2H3
InChIKeyJSMOQPGLEWVDLR-UHFFFAOYSA-N
XLogP0.18
TPSA82.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one (CID 564831) is 1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one is Cn1c(=O)n(C)c2nc([N+](=O)[O-])ccc21.
What is the InChIKey of 1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one?
The InChIKey is JSMOQPGLEWVDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O3/c1-10-5-3-4-6(12(14)15)9-7(5)11(2)8(10)13/h3-4H,1-2H3.
What are the key properties of 1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one?
1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one has a molecular weight of 208.18 g/mol, XLogP of 0.18, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 564831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).