N-(5-methylpyridin-2-yl)-2-nitrobenzamide

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Basic information

CAS: 280771-58-6
Standard SMILES: Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])nc1
InChIKey: DYLDZFGJFCNZLD-UHFFFAOYSA-N
Molecular formula: C13H11N3O3
Average molar mass: 257.24 g/mol
Monoisotopic mass: 257.08004122

Names & identifiers

Preferred name: N-(5-methylpyridin-2-yl)-2-nitrobenzamide
IUPAC: N-(5-methyl-2-pyridinyl)-2-nitrobenzamide

Names & synonyms

N-(5-methylpyridin-2-yl)-2-nitrobenzamide280771-58-6Benzamide, N-(5-methyl-2-pyridinyl)-2-nitro-SMR0001850232-nitro-N-(5-methyl-2-pyridinyl)benzamideCambridge id 5246542Oprea1_857287CBDivE_011808MLS000573093SCHEMBL4859758CHEMBL1406700DTXSID70357018

Show more names

DYLDZFGJFCNZLD-UHFFFAOYSA-NHMS2549O04STK416759AKOS0013123962-Nitro-N-(5-methylpyridin-2-yl)benzamideN-(5-methyl-2-pyridinyl)-2-nitrobenzamideST50908249AK-968/40072522

Database identifiers

CAS: 280771-58-6
PubChem CID: 840320
DTXSID: DTXSID70357018
ChEMBL: CHEMBL1406700

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 87.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 343

Related reactions

14 records

New reaction record

HRID 269722As productuspto-grants-2008_11

HRID 269725As reactantuspto-grants-2008_11

HRID 670526As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 684976As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 988589As productuspto-grants-2003_10

HRID 988590As reactantuspto-grants-2003_10

HRID 1247020As productuspto-grants-2006_10

HRID 1247021As reactantuspto-grants-2006_10

Compound notes

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