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

C8H7BrN4O3 — CID 3847474

IUPAC6-bromo-1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(C)c2nc([N+](=O)[O-])c(Br)cc21
InChIInChI=1S/C8H7BrN4O3/c1-11-5-3-4(9)6(13(15)16)10-7(5)12(2)8(11)14/h3H,1-2H3
InChIKeyNBESRZIJLLMQKX-UHFFFAOYSA-N
MW287.07 g/mol
LogP0.94
Rot. Bonds1

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

6-bromo-1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one (PubChem CID 3847474) has the molecular formula C8H7BrN4O3 and a molecular weight of 287.07 g/mol. Its IUPAC name is 6-bromo-1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-bromo-1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one
PubChem CID3847474
Molecular FormulaC8H7BrN4O3
Molecular Weight287.07 g/mol
Exact Mass285.97
IUPAC Name6-bromo-1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(C)c2nc([N+](=O)[O-])c(Br)cc21
InChIInChI=1S/C8H7BrN4O3/c1-11-5-3-4(9)6(13(15)16)10-7(5)12(2)8(11)14/h3H,1-2H3
InChIKeyNBESRZIJLLMQKX-UHFFFAOYSA-N
XLogP0.94
TPSA82.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.07
LogP ≤ 50.94
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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Related Compounds

6-Bromo-1,3-dimethyl-1h-imidazo[4,5-b]pyridin-2(3h)-one
CID 665048
3-Methyl-5-nitro-1,3-dihydro-imidazo[4,5-b]pyridin-2-one
CID 950881
7-Bromo-1,3-dimethyl-4-nitro-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one
CID 749976
6-chloro-1,3-dimethyl-5-nitro-1H-imidazo[4,5-b]pyridin-2(3H)-one
CID 764067
1H-Imidazolo[4,5-b]pyridin-2(3H)-one, 1,3-dimethyl-5-nitro-
CID 564831
1,3-Dihydro-5-nitro-2H-imidazo[4,5-B]pyridin-2-one
CID 5601332
6-bromo-5-nitro-1H-imidazo[4,5-b]pyridin-2(3H)-one
CID 5522321
1-Methyl-5-nitro-4-imidazolino[4,5-b]pyridin-2-one
CID 5878670
1-Methyl-5,6-dinitro-1,3-dihydro-2h-imidazo-[4,5-b]pyridin-2-one
CID 129741350
3-Methyl-5,6-dinitro-1,3-dihydro-2h-imidazo-[4,5-b]pyridin-2-one
CID 129741410
6-Bromo-3-methyl-5-nitro-1,3-dihydro-2h-imidazo[4,5-b]pyridin-2-one
CID 129741540
1,3-Dimethyl-5,6-dinitro-1,3-di-hydro-2h-imidazo[4,5-b]pyridin-2-one
CID 129741675

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-bromo-1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one (CID 3847474) is 6-bromo-1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-bromo-1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-bromo-1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one is Cn1c(=O)n(C)c2nc([N+](=O)[O-])c(Br)cc21.
What is the InChIKey of 6-bromo-1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one?
The InChIKey is NBESRZIJLLMQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4O3/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-bromo-1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one?
6-bromo-1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one has a molecular weight of 287.07 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 3847474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).