2-(Benzyloxy)-4-chloro-3-nitropyridine

HCID 22052065

Notes Reactions

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Basic information

CAS: 219735-84-9
Standard SMILES: O=[N+]([O-])c1c(Cl)ccnc1OCc1ccccc1
InChIKey: VXAQNOQNWQCRSH-UHFFFAOYSA-N
Molecular formula: C12H9ClN2O3
Average molar mass: 264.66 g/mol
Monoisotopic mass: 264.03016983

Names & identifiers

Preferred name: 2-(Benzyloxy)-4-chloro-3-nitropyridine
IUPAC: 4-chloro-3-nitro-2-phenylmethoxypyridine

Names & synonyms

2-(benzyloxy)-4-chloro-3-nitropyridine219735-84-92-Benzyloxy-4-chloro-3-nitro-pyridineSCHEMBL1843397SCHEMBL30648686DTXSID40622048VXAQNOQNWQCRSH-UHFFFAOYSA-NDB-364617

Database identifiers

CAS: 219735-84-9
PubChem CID: 22052065
DTXSID: DTXSID40622048

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 67.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 279

Related reactions

23 records

New reaction record

HRID 168068As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 168859As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 295612As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 316294As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 674887As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 834450As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1131777As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1215564As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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