4-formyl-2-methoxy-6-nitrobenzamide

C9H8N2O5 — CID 171023035

IUPAC4-formyl-2-methoxy-6-nitrobenzamide
SMILESCOc1cc(C=O)cc([N+](=O)[O-])c1C(N)=O
InChIInChI=1S/C9H8N2O5/c1-16-7-3-5(4-12)2-6(11(14)15)8(7)9(10)13/h2-4H,1H3,(H2,10,13)
InChIKeyWBCUKHOUZFQLLH-UHFFFAOYSA-N
MW224.17 g/mol
LogP0.51
Rot. Bonds4

About 4-formyl-2-methoxy-6-nitrobenzamide

4-formyl-2-methoxy-6-nitrobenzamide (PubChem CID 171023035) has the molecular formula C9H8N2O5 and a molecular weight of 224.17 g/mol. Its IUPAC name is 4-formyl-2-methoxy-6-nitrobenzamide.

Molecular Properties

Compound Name4-formyl-2-methoxy-6-nitrobenzamide
PubChem CID171023035
Molecular FormulaC9H8N2O5
Molecular Weight224.17 g/mol
Exact Mass224.04
IUPAC Name4-formyl-2-methoxy-6-nitrobenzamide
SMILESCOc1cc(C=O)cc([N+](=O)[O-])c1C(N)=O
InChIInChI=1S/C9H8N2O5/c1-16-7-3-5(4-12)2-6(11(14)15)8(7)9(10)13/h2-4H,1H3,(H2,10,13)
InChIKeyWBCUKHOUZFQLLH-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

5-formyl-3-methoxy-2-nitrobenzamide
CID 171023186
4-methoxy-3-nitrobenzaldehyde
CID 700608
2-iodo-4-methoxy-6-nitrobenzamide
CID 171012295
4-bromo-3,5-dinitrobenzaldehyde
CID 91286899
ethyl 2-(2-formyl-5-methoxy-4-nitrophenyl)acetate
CID 171024460
[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]urea
CID 71670048
2,4-dimethoxy-6-nitrobenzoic acid
CID 4913003
3-(difluoromethoxy)-4-methyl-5-nitrobenzaldehyde
CID 171032273
2-(4-formyl-2-nitrophenoxy)propanamide
CID 43082661
1-(4-chloro-2-methoxy-6-nitrophenyl)ethanone
CID 171009212
ethyl 4-formyl-2-methoxy-6-methylbenzoate
CID 171024646
2-amino-4-methoxy-5-nitrobenzamide
CID 131344074

Frequently Asked Questions

What is the IUPAC name of 4-formyl-2-methoxy-6-nitrobenzamide?
The IUPAC name of 4-formyl-2-methoxy-6-nitrobenzamide (CID 171023035) is 4-formyl-2-methoxy-6-nitrobenzamide.
What is the SMILES notation for 4-formyl-2-methoxy-6-nitrobenzamide?
The canonical SMILES for 4-formyl-2-methoxy-6-nitrobenzamide is COc1cc(C=O)cc([N+](=O)[O-])c1C(N)=O.
What is the InChIKey of 4-formyl-2-methoxy-6-nitrobenzamide?
The InChIKey is WBCUKHOUZFQLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O5/c1-16-7-3-5(4-12)2-6(11(14)15)8(7)9(10)13/h2-4H,1H3,(H2,10,13).
What are the key properties of 4-formyl-2-methoxy-6-nitrobenzamide?
4-formyl-2-methoxy-6-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 4-formyl-2-methoxy-6-nitrobenzamide is sourced from PubChem (CID 171023035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).