5-chloro-2,3-dimethoxy-4-[(methoxyamino)methyl]benzaldehyde

C11H14ClNO4 — CID 117403358

IUPAC5-chloro-2,3-dimethoxy-4-[(methoxyamino)methyl]benzaldehyde
SMILESCONCc1c(Cl)cc(C=O)c(OC)c1OC
InChIInChI=1S/C11H14ClNO4/c1-15-10-7(6-14)4-9(12)8(5-13-17-3)11(10)16-2/h4,6,13H,5H2,1-3H3
InChIKeyZVMWFODGNMGMBV-UHFFFAOYSA-N
MW259.69 g/mol
LogP1.82
Rot. Bonds6

About 5-chloro-2,3-dimethoxy-4-[(methoxyamino)methyl]benzaldehyde

5-chloro-2,3-dimethoxy-4-[(methoxyamino)methyl]benzaldehyde (PubChem CID 117403358) has the molecular formula C11H14ClNO4 and a molecular weight of 259.69 g/mol. Its IUPAC name is 5-chloro-2,3-dimethoxy-4-[(methoxyamino)methyl]benzaldehyde.

Molecular Properties

Compound Name5-chloro-2,3-dimethoxy-4-[(methoxyamino)methyl]benzaldehyde
PubChem CID117403358
Molecular FormulaC11H14ClNO4
Molecular Weight259.69 g/mol
Exact Mass259.06
IUPAC Name5-chloro-2,3-dimethoxy-4-[(methoxyamino)methyl]benzaldehyde
SMILESCONCc1c(Cl)cc(C=O)c(OC)c1OC
InChIInChI=1S/C11H14ClNO4/c1-15-10-7(6-14)4-9(12)8(5-13-17-3)11(10)16-2/h4,6,13H,5H2,1-3H3
InChIKeyZVMWFODGNMGMBV-UHFFFAOYSA-N
XLogP1.82
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-4-(2-hydroxyethyl)-2,3-dimethoxybenzaldehyde
CID 117363625
1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)-N-methoxymethanamine
CID 117495457
4-(2-aminopropyl)-5-chloro-2,3-dimethoxybenzaldehyde
CID 117397772
5-chloro-3-fluoro-2,4-dimethoxybenzaldehyde
CID 84684172
1-(3-chloro-2-methoxy-5,6-dimethylphenyl)-N-methoxymethanamine
CID 117331664
4-(aminomethyl)-5-bromo-2,3-dimethoxybenzaldehyde
CID 84713721
3-amino-3-(6-chloro-4-formyl-2,3-dimethoxyphenyl)propanoic acid
CID 117464346
1-(3,5-difluoro-2,6-dimethoxyphenyl)-N-methoxymethanamine
CID 117337456
1-(3,5-dichloro-2-methoxyphenyl)-N-methoxymethanamine
CID 117344115
2-(6-bromo-4-formyl-2,3-dimethoxyphenyl)acetic acid
CID 117487778
2,3-dimethoxy-4,5-dimethylbenzaldehyde
CID 66545575
5-chloro-3-fluoro-2-hydroxy-4-methoxybenzaldehyde
CID 84778086

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,3-dimethoxy-4-[(methoxyamino)methyl]benzaldehyde?
The IUPAC name of 5-chloro-2,3-dimethoxy-4-[(methoxyamino)methyl]benzaldehyde (CID 117403358) is 5-chloro-2,3-dimethoxy-4-[(methoxyamino)methyl]benzaldehyde.
What is the SMILES notation for 5-chloro-2,3-dimethoxy-4-[(methoxyamino)methyl]benzaldehyde?
The canonical SMILES for 5-chloro-2,3-dimethoxy-4-[(methoxyamino)methyl]benzaldehyde is CONCc1c(Cl)cc(C=O)c(OC)c1OC.
What is the InChIKey of 5-chloro-2,3-dimethoxy-4-[(methoxyamino)methyl]benzaldehyde?
The InChIKey is ZVMWFODGNMGMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4/c1-15-10-7(6-14)4-9(12)8(5-13-17-3)11(10)16-2/h4,6,13H,5H2,1-3H3.
What are the key properties of 5-chloro-2,3-dimethoxy-4-[(methoxyamino)methyl]benzaldehyde?
5-chloro-2,3-dimethoxy-4-[(methoxyamino)methyl]benzaldehyde has a molecular weight of 259.69 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,3-dimethoxy-4-[(methoxyamino)methyl]benzaldehyde is sourced from PubChem (CID 117403358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).