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

HCID 915534

Notes Reactions

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Basic information

CAS: 317376-24-2
Standard SMILES: O=c1[nH]c2cccnc2n1-c1ccc([N+](=O)[O-])cc1
InChIKey: GZOAOHCKZRGXRO-UHFFFAOYSA-N
Molecular formula: C12H8N4O3
Average molar mass: 256.22 g/mol
Monoisotopic mass: 256.05964013

Names & identifiers

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

Names & synonyms

3-(4-nitrophenyl)-1H-imidazo[4,5-b]pyridin-2-one317376-24-23-(4-nitrophenyl)-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-oneOprea1_601730MLS000777840SCHEMBL1699223CHEMBL1392060GZOAOHCKZRGXRO-UHFFFAOYSA-NDTXSID201319884HMS2750B19STL326943AKOS022142268

Show more names

SMR000414225ST509908163-(4-nitrophenyl)-4-imidazolino[4,5-b]pyridin-2-one3-(4-nitrophenyl)-1H-imidazo[4,5-b]pyridin-2(3H)-one3-(4-Nitro-phenyl)-1,3-dihydro-imidazo[4,5-b]pyridin-2-one

Database identifiers

CAS: 317376-24-2
PubChem CID: 915534
DTXSID: DTXSID201319884
ChEMBL: CHEMBL1392060

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 91.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 19
Formal charge: 0
Complexity: 376

Related reactions

9 records

New reaction record

HRID 82556As productuspto-grants-2014_09

HRID 82557As reactantuspto-grants-2014_09

HRID 587475As productuspto-grants-2016_01

HRID 587476As reactantuspto-grants-2016_01

HRID 819880As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1044179As productuspto-grants-2013_10

HRID 1044180As reactantuspto-grants-2013_10

HRID 1429931As productuspto-grants-2015_01

Compound notes

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