7-(2-fluoro-4-nitrophenoxy)-1H-pyrrolo[3,2-b]pyridine

HCID 59424596

Notes Reactions

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Basic information

Standard SMILES: O=[N+]([O-])c1ccc(Oc2ccnc3cc[nH]c23)c(F)c1
InChIKey: FCCGWNVUKZWTIO-UHFFFAOYSA-N
Molecular formula: C13H8FN3O3
Average molar mass: 273.22 g/mol

Names & identifiers

Preferred name: 7-(2-fluoro-4-nitrophenoxy)-1H-pyrrolo[3,2-b]pyridine
IUPAC: 7-(2-fluoro-4-nitrophenoxy)-1H-pyrrolo[3,2-b]pyridine

Names & synonyms

SCHEMBL3621081FCCGWNVUKZWTIO-UHFFFAOYSA-N7-(2-fluoro-4-nitrophenoxy)-1H-pyrrolo[3,2-b]pyridine7-(2-Fluoro-4-nitrophenoxy)-1H-pyrrolo [3,2-b]pyridine

Database identifiers

PubChem CID: 59424596

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 83.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 20
Formal charge: 0
Complexity: 365

Related reactions

7 records

New reaction record

HRID 687559As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 957851As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1143361As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1261336As productuspto-grants-2013_06

HRID 1261337As reactantuspto-grants-2013_06

HRID 1711041As productuspto-grants-2010_09

HRID 1711042As reactantuspto-grants-2010_09

Compound notes

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