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

C8H7ClN4O3 — CID 764067

IUPAC6-chloro-1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(C)c2nc([N+](=O)[O-])c(Cl)cc21
InChIInChI=1S/C8H7ClN4O3/c1-11-5-3-4(9)6(13(15)16)10-7(5)12(2)8(11)14/h3H,1-2H3
InChIKeyGEDXIBYRXOWQEW-UHFFFAOYSA-N
MW242.62 g/mol
LogP0.83
Rot. Bonds1

About 6-chloro-1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one

6-chloro-1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one (PubChem CID 764067) has the molecular formula C8H7ClN4O3 and a molecular weight of 242.62 g/mol. Its IUPAC name is 6-chloro-1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-chloro-1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one
PubChem CID764067
Molecular FormulaC8H7ClN4O3
Molecular Weight242.62 g/mol
Exact Mass242.02
IUPAC Name6-chloro-1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(C)c2nc([N+](=O)[O-])c(Cl)cc21
InChIInChI=1S/C8H7ClN4O3/c1-11-5-3-4(9)6(13(15)16)10-7(5)12(2)8(11)14/h3H,1-2H3
InChIKeyGEDXIBYRXOWQEW-UHFFFAOYSA-N
XLogP0.83
TPSA82.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.62
LogP ≤ 50.83
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 6-chloro-1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-chloro-1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one (CID 764067) is 6-chloro-1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-chloro-1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-chloro-1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one is Cn1c(=O)n(C)c2nc([N+](=O)[O-])c(Cl)cc21.
What is the InChIKey of 6-chloro-1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one?
The InChIKey is GEDXIBYRXOWQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4O3/c1-11-5-3-4(9)6(13(15)16)10-7(5)12(2)8(11)14/h3H,1-2H3.
What are the key properties of 6-chloro-1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one?
6-chloro-1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one has a molecular weight of 242.62 g/mol, XLogP of 0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 764067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).