5-nitro-3-pyridin-2-yl-2H-1,4-benzoxazine

HCID 90408902
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Basic information

Standard SMILES
O=[N+]([O-])c1cccc2c1N=C(c1ccccn1)CO2
InChIKey
VYAFUTISYJHXOI-UHFFFAOYSA-N
Molecular formula
C13H9N3O3
Average molar mass
255.23 g/mol

Names & identifiers

Preferred name
5-nitro-3-pyridin-2-yl-2H-1,4-benzoxazine
IUPAC
5-nitro-3-pyridin-2-yl-2H-1,4-benzoxazine

Names & synonyms

SCHEMBL16035889SCHEMBL29938955VYAFUTISYJHXOI-UHFFFAOYSA-N5-nitro-3-pyridin-2-yl-2H-1,4-benzoxazine

Database identifiers

PubChem CID
90408902

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
80.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
19

Related reactions

2 records
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Compound notes

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