6-(2-nitrophenoxy)-1,3-dihydroimidazo[4,5-b]pyridin-2-one

C12H8N4O4 — CID 57212447

IUPAC6-(2-nitrophenoxy)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2cc(Oc3ccccc3[N+](=O)[O-])cnc2[nH]1
InChIInChI=1S/C12H8N4O4/c17-12-14-8-5-7(6-13-11(8)15-12)20-10-4-2-1-3-9(10)16(18)19/h1-6H,(H2,13,14,15,17)
InChIKeyCGXQACFHEXFREX-UHFFFAOYSA-N
MW272.22 g/mol
LogP1.95
Rot. Bonds3

About 6-(2-nitrophenoxy)-1,3-dihydroimidazo[4,5-b]pyridin-2-one

6-(2-nitrophenoxy)-1,3-dihydroimidazo[4,5-b]pyridin-2-one (PubChem CID 57212447) has the molecular formula C12H8N4O4 and a molecular weight of 272.22 g/mol. Its IUPAC name is 6-(2-nitrophenoxy)-1,3-dihydroimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-(2-nitrophenoxy)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
PubChem CID57212447
Molecular FormulaC12H8N4O4
Molecular Weight272.22 g/mol
Exact Mass272.05
IUPAC Name6-(2-nitrophenoxy)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2cc(Oc3ccccc3[N+](=O)[O-])cnc2[nH]1
InChIInChI=1S/C12H8N4O4/c17-12-14-8-5-7(6-13-11(8)15-12)20-10-4-2-1-3-9(10)16(18)19/h1-6H,(H2,13,14,15,17)
InChIKeyCGXQACFHEXFREX-UHFFFAOYSA-N
XLogP1.95
TPSA113.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 51.95
H-Bond Donors ≤ 52
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

6-(3-methoxyphenoxy)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 57314597
5-(2-nitrophenoxy)pyridin-3-amine
CID 104536596
5-(2-nitrophenoxy)pyridine-2-carboxylic acid
CID 113321699
methyl 5-(2-nitrophenoxy)pyridine-2-carboxylate
CID 171322995
1-(4-methylphenoxy)-2-nitrobenzene
CID 3377310
3-(2-nitrophenoxy)aniline
CID 12638058
1,2-dimethoxy-4-(2-nitrophenoxy)benzene
CID 11369382
N-(N'-methylcarbamimidoyl)-6-(2-nitrophenoxy)-1H-indole-2-carboxamide
CID 70218200
5-methyl-2-(2-nitrophenoxy)pyridin-3-amine
CID 114051048
1,1,4,4-tetramethyl-6-(2-nitrophenoxy)-2,3-dihydronaphthalene
CID 10616047
1-nitro-2-(2-nitrophenyl)peroxybenzene
CID 151853711
5-chloro-2-(2-nitrophenoxy)pyridine-4-carboxylic acid
CID 114916895

Frequently Asked Questions

What is the IUPAC name of 6-(2-nitrophenoxy)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-(2-nitrophenoxy)-1,3-dihydroimidazo[4,5-b]pyridin-2-one (CID 57212447) is 6-(2-nitrophenoxy)-1,3-dihydroimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-(2-nitrophenoxy)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-(2-nitrophenoxy)-1,3-dihydroimidazo[4,5-b]pyridin-2-one is O=c1[nH]c2cc(Oc3ccccc3[N+](=O)[O-])cnc2[nH]1.
What is the InChIKey of 6-(2-nitrophenoxy)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The InChIKey is CGXQACFHEXFREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O4/c17-12-14-8-5-7(6-13-11(8)15-12)20-10-4-2-1-3-9(10)16(18)19/h1-6H,(H2,13,14,15,17).
What are the key properties of 6-(2-nitrophenoxy)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
6-(2-nitrophenoxy)-1,3-dihydroimidazo[4,5-b]pyridin-2-one has a molecular weight of 272.22 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-nitrophenoxy)-1,3-dihydroimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 57212447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).