3-ethyl-6-nitro-1H-imidazo[4,5-b]pyridin-2-one

C8H8N4O3 — CID 162519808

IUPAC3-ethyl-6-nitro-1H-imidazo[4,5-b]pyridin-2-one
SMILESCCn1c(=O)[nH]c2cc([N+](=O)[O-])cnc21
InChIInChI=1S/C8H8N4O3/c1-2-11-7-6(10-8(11)13)3-5(4-9-7)12(14)15/h3-4H,2H2,1H3,(H,10,13)
InChIKeyHWCLIPRVCDUSCC-UHFFFAOYSA-N
MW208.18 g/mol
LogP0.65
Rot. Bonds2

About 3-ethyl-6-nitro-1H-imidazo[4,5-b]pyridin-2-one

3-ethyl-6-nitro-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 162519808) has the molecular formula C8H8N4O3 and a molecular weight of 208.18 g/mol. Its IUPAC name is 3-ethyl-6-nitro-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-ethyl-6-nitro-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID162519808
Molecular FormulaC8H8N4O3
Molecular Weight208.18 g/mol
Exact Mass208.06
IUPAC Name3-ethyl-6-nitro-1H-imidazo[4,5-b]pyridin-2-one
SMILESCCn1c(=O)[nH]c2cc([N+](=O)[O-])cnc21
InChIInChI=1S/C8H8N4O3/c1-2-11-7-6(10-8(11)13)3-5(4-9-7)12(14)15/h3-4H,2H2,1H3,(H,10,13)
InChIKeyHWCLIPRVCDUSCC-UHFFFAOYSA-N
XLogP0.65
TPSA93.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-ethyl-6-nitro-1H-quinazoline-2,4-dione
CID 115587409
1-ethyl-3-hydroxy-6-nitro-1,8-naphthyridin-2-one
CID 170629377
4-amino-1-ethyl-3,6-dinitro-1,8-naphthyridin-2-one
CID 15153036
1-ethyl-2-(4-fluorophenyl)-5-nitropyrrolo[2,3-b]pyridine
CID 67284498
ethane;3-ethyl-1H-imidazo[4,5-b]pyridin-2-one
CID 91018221
1-ethyl-5-(3-nitrophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 17160078
1-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridin-3-one
CID 67989684
3-butyl-6-nitro-1H-quinazoline-2,4-dione
CID 101422507
7-chloro-3-ethyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione
CID 168900207
5,6-dichloro-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 114759819
3-[2-(dimethylamino)ethyl]-6-nitro-1H-benzimidazol-2-one
CID 19811332
1-ethyl-2-morpholin-4-yl-6-nitro-4-oxo-1,8-naphthyridine-3-carboxamide
CID 86710739

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-nitro-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-ethyl-6-nitro-1H-imidazo[4,5-b]pyridin-2-one (CID 162519808) is 3-ethyl-6-nitro-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-ethyl-6-nitro-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-ethyl-6-nitro-1H-imidazo[4,5-b]pyridin-2-one is CCn1c(=O)[nH]c2cc([N+](=O)[O-])cnc21.
What is the InChIKey of 3-ethyl-6-nitro-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is HWCLIPRVCDUSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O3/c1-2-11-7-6(10-8(11)13)3-5(4-9-7)12(14)15/h3-4H,2H2,1H3,(H,10,13).
What are the key properties of 3-ethyl-6-nitro-1H-imidazo[4,5-b]pyridin-2-one?
3-ethyl-6-nitro-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 208.18 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-nitro-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 162519808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).