2,3,5-trimethoxy-6-nitrobenzaldehyde

C10H11NO6 — CID 66545581

IUPAC2,3,5-trimethoxy-6-nitrobenzaldehyde
SMILESCOc1cc(OC)c([N+](=O)[O-])c(C=O)c1OC
InChIInChI=1S/C10H11NO6/c1-15-7-4-8(16-2)10(17-3)6(5-12)9(7)11(13)14/h4-5H,1-3H3
InChIKeyGFJSSNLCENYBMZ-UHFFFAOYSA-N
MW241.20 g/mol
LogP1.43
Rot. Bonds5

About 2,3,5-trimethoxy-6-nitrobenzaldehyde

2,3,5-trimethoxy-6-nitrobenzaldehyde (PubChem CID 66545581) has the molecular formula C10H11NO6 and a molecular weight of 241.20 g/mol. Its IUPAC name is 2,3,5-trimethoxy-6-nitrobenzaldehyde.

Molecular Properties

Compound Name2,3,5-trimethoxy-6-nitrobenzaldehyde
PubChem CID66545581
Molecular FormulaC10H11NO6
Molecular Weight241.20 g/mol
Exact Mass241.06
IUPAC Name2,3,5-trimethoxy-6-nitrobenzaldehyde
SMILESCOc1cc(OC)c([N+](=O)[O-])c(C=O)c1OC
InChIInChI=1S/C10H11NO6/c1-15-7-4-8(16-2)10(17-3)6(5-12)9(7)11(13)14/h4-5H,1-3H3
InChIKeyGFJSSNLCENYBMZ-UHFFFAOYSA-N
XLogP1.43
TPSA87.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

3,4,5-trimethoxy-2-nitrobenzaldehyde
CID 18697918
6-hydroxy-3-methoxy-2-nitrobenzaldehyde
CID 44614059
2-(3,5-dimethoxy-4-nitrophenoxy)-1,3,5-trimethoxy-4-nitrobenzene
CID 71371782
4-ethoxy-6-hydroxy-2-methoxy-3-nitrobenzaldehyde
CID 12700191
2-hydroxy-3,6-dimethoxy-5-nitrobenzaldehyde
CID 66545661
1,3,5-trimethoxy-2-nitrobenzene
CID 518903
2,3-dibromo-5,6-dimethoxybenzaldehyde
CID 7172125
3,4-dimethoxy-2-nitrobenzene-6-ide-1-carbaldehyde;yttrium
CID 146166598
5-formyl-3-methoxy-2-nitrobenzamide
CID 171023186
4,5-dimethoxy-2,3-dinitrobenzoic acid
CID 131843904
1-methoxy-2,3-dinitro-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene
CID 24854190
1,2,3-trimethoxy-5-[(Z)-2-(4-nitrophenyl)ethenyl]benzene
CID 14256048

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethoxy-6-nitrobenzaldehyde?
The IUPAC name of 2,3,5-trimethoxy-6-nitrobenzaldehyde (CID 66545581) is 2,3,5-trimethoxy-6-nitrobenzaldehyde.
What is the SMILES notation for 2,3,5-trimethoxy-6-nitrobenzaldehyde?
The canonical SMILES for 2,3,5-trimethoxy-6-nitrobenzaldehyde is COc1cc(OC)c([N+](=O)[O-])c(C=O)c1OC.
What is the InChIKey of 2,3,5-trimethoxy-6-nitrobenzaldehyde?
The InChIKey is GFJSSNLCENYBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO6/c1-15-7-4-8(16-2)10(17-3)6(5-12)9(7)11(13)14/h4-5H,1-3H3.
What are the key properties of 2,3,5-trimethoxy-6-nitrobenzaldehyde?
2,3,5-trimethoxy-6-nitrobenzaldehyde has a molecular weight of 241.20 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethoxy-6-nitrobenzaldehyde is sourced from PubChem (CID 66545581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).