5-formyl-3-methoxy-2-nitrobenzamide

C9H8N2O5 — CID 171023186

IUPAC5-formyl-3-methoxy-2-nitrobenzamide
SMILESCOc1cc(C=O)cc(C(N)=O)c1[N+](=O)[O-]
InChIInChI=1S/C9H8N2O5/c1-16-7-3-5(4-12)2-6(9(10)13)8(7)11(14)15/h2-4H,1H3,(H2,10,13)
InChIKeyHWFBKBLILCWFOE-UHFFFAOYSA-N
MW224.17 g/mol
LogP0.51
Rot. Bonds4

About 5-formyl-3-methoxy-2-nitrobenzamide

5-formyl-3-methoxy-2-nitrobenzamide (PubChem CID 171023186) has the molecular formula C9H8N2O5 and a molecular weight of 224.17 g/mol. Its IUPAC name is 5-formyl-3-methoxy-2-nitrobenzamide.

Molecular Properties

Compound Name5-formyl-3-methoxy-2-nitrobenzamide
PubChem CID171023186
Molecular FormulaC9H8N2O5
Molecular Weight224.17 g/mol
Exact Mass224.04
IUPAC Name5-formyl-3-methoxy-2-nitrobenzamide
SMILESCOc1cc(C=O)cc(C(N)=O)c1[N+](=O)[O-]
InChIInChI=1S/C9H8N2O5/c1-16-7-3-5(4-12)2-6(9(10)13)8(7)11(14)15/h2-4H,1H3,(H2,10,13)
InChIKeyHWFBKBLILCWFOE-UHFFFAOYSA-N
XLogP0.51
TPSA112.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.17
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-formyl-2-methoxy-6-nitrobenzamide
CID 171023035
2,4-dichloro-5-methoxy-3-nitrobenzamide
CID 175668713
2-cyano-5-formyl-3-nitrobenzamide
CID 171018132
sodium 5-formyl-2-hydroxy-3-methoxybenzoate
CID 23721913
3-iodo-5-methoxy-4-nitrobenzamide
CID 171011941
3-fluoro-5-(4-formylphenoxy)-2-nitrobenzamide
CID 87305236
3,5-dimethoxy-2-nitrobenzoic acid
CID 7472021
3-(bromomethyl)-5-methoxy-4-methyl-2-nitrobenzamide
CID 90083348
2-cyano-5-formyl-4-methoxybenzamide
CID 171012907
2-amino-4-formyl-5-methoxybenzamide
CID 58768479
2-amino-4-methoxy-5-nitrobenzamide
CID 131344074
3,5-dimethoxy-2-nitrobenzoyl chloride
CID 14604499

Frequently Asked Questions

What is the IUPAC name of 5-formyl-3-methoxy-2-nitrobenzamide?
The IUPAC name of 5-formyl-3-methoxy-2-nitrobenzamide (CID 171023186) is 5-formyl-3-methoxy-2-nitrobenzamide.
What is the SMILES notation for 5-formyl-3-methoxy-2-nitrobenzamide?
The canonical SMILES for 5-formyl-3-methoxy-2-nitrobenzamide is COc1cc(C=O)cc(C(N)=O)c1[N+](=O)[O-].
What is the InChIKey of 5-formyl-3-methoxy-2-nitrobenzamide?
The InChIKey is HWFBKBLILCWFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O5/c1-16-7-3-5(4-12)2-6(9(10)13)8(7)11(14)15/h2-4H,1H3,(H2,10,13).
What are the key properties of 5-formyl-3-methoxy-2-nitrobenzamide?
5-formyl-3-methoxy-2-nitrobenzamide has a molecular weight of 224.17 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-3-methoxy-2-nitrobenzamide is sourced from PubChem (CID 171023186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).