4-(2-Nitrobenzoyl)pyridine

HCID 14005181
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Basic information

Standard SMILES
O=C(c1ccncc1)c1ccccc1[N+](=O)[O-]
InChIKey
FELKZUPMPWDZKJ-UHFFFAOYSA-N
Molecular formula
C12H8N2O3
Average molar mass
228.2 g/mol
Monoisotopic mass
228.05349212

Names & identifiers

Preferred name
4-(2-Nitrobenzoyl)pyridine
IUPAC
(2-nitrophenyl)-pyridin-4-ylmethanone

Names & synonyms

4-(2-Nitrobenzoyl)pyridine4-(2-Nitrobenzoyl) pyridineSCHEMBL6644387FELKZUPMPWDZKJ-UHFFFAOYSA-N10.14272/FELKZUPMPWDZKJ-UHFFFAOYSA-N.1doi:10.14272/FELKZUPMPWDZKJ-UHFFFAOYSA-N.1

Database identifiers

PubChem CID
14005181

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
75.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
17

Related reactions

4 records
New reaction record

Compound notes

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4-(2-Nitrobenzoyl)pyridine (HCID 14005181)｜Huagongshe