3-(4-nitrophenyl)-1H-imidazo[4,5-b]pyridin-2-one

C12H8N4O3 — CID 915534

IUPAC3-(4-nitrophenyl)-1H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2cccnc2n1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H8N4O3/c17-12-14-10-2-1-7-13-11(10)15(12)8-3-5-9(6-4-8)16(18)19/h1-7H,(H,14,17)
InChIKeyGZOAOHCKZRGXRO-UHFFFAOYSA-N
MW256.22 g/mol
LogP1.62
Rot. Bonds2

About 3-(4-nitrophenyl)-1H-imidazo[4,5-b]pyridin-2-one

3-(4-nitrophenyl)-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 915534) has the molecular formula C12H8N4O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is 3-(4-nitrophenyl)-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-(4-nitrophenyl)-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID915534
Molecular FormulaC12H8N4O3
Molecular Weight256.22 g/mol
Exact Mass256.06
IUPAC Name3-(4-nitrophenyl)-1H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2cccnc2n1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H8N4O3/c17-12-14-10-2-1-7-13-11(10)15(12)8-3-5-9(6-4-8)16(18)19/h1-7H,(H,14,17)
InChIKeyGZOAOHCKZRGXRO-UHFFFAOYSA-N
XLogP1.62
TPSA93.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 51.62
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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Frequently Asked Questions

What is the IUPAC name of 3-(4-nitrophenyl)-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-(4-nitrophenyl)-1H-imidazo[4,5-b]pyridin-2-one (CID 915534) is 3-(4-nitrophenyl)-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-(4-nitrophenyl)-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-(4-nitrophenyl)-1H-imidazo[4,5-b]pyridin-2-one is O=c1[nH]c2cccnc2n1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-(4-nitrophenyl)-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is GZOAOHCKZRGXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O3/c17-12-14-10-2-1-7-13-11(10)15(12)8-3-5-9(6-4-8)16(18)19/h1-7H,(H,14,17).
What are the key properties of 3-(4-nitrophenyl)-1H-imidazo[4,5-b]pyridin-2-one?
3-(4-nitrophenyl)-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 256.22 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-nitrophenyl)-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 915534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).