4-amino-3,5-dichlorobenzaldehyde

C7H5Cl2NO — CID 14509894

IUPAC4-amino-3,5-dichlorobenzaldehyde
SMILESNc1c(Cl)cc(C=O)cc1Cl
InChIInChI=1S/C7H5Cl2NO/c8-5-1-4(3-11)2-6(9)7(5)10/h1-3H,10H2
InChIKeyLDCXVGKWQBEJRH-UHFFFAOYSA-N
MW190.03 g/mol
LogP2.39
Rot. Bonds1

About 4-amino-3,5-dichlorobenzaldehyde

4-amino-3,5-dichlorobenzaldehyde (PubChem CID 14509894) has the molecular formula C7H5Cl2NO and a molecular weight of 190.03 g/mol. Its IUPAC name is 4-amino-3,5-dichlorobenzaldehyde.

Molecular Properties

Compound Name4-amino-3,5-dichlorobenzaldehyde
PubChem CID14509894
Molecular FormulaC7H5Cl2NO
Molecular Weight190.03 g/mol
Exact Mass188.97
IUPAC Name4-amino-3,5-dichlorobenzaldehyde
SMILESNc1c(Cl)cc(C=O)cc1Cl
InChIInChI=1S/C7H5Cl2NO/c8-5-1-4(3-11)2-6(9)7(5)10/h1-3H,10H2
InChIKeyLDCXVGKWQBEJRH-UHFFFAOYSA-N
XLogP2.39
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.03
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichlorobenzaldehyde?
The IUPAC name of 4-amino-3,5-dichlorobenzaldehyde (CID 14509894) is 4-amino-3,5-dichlorobenzaldehyde.
What is the SMILES notation for 4-amino-3,5-dichlorobenzaldehyde?
The canonical SMILES for 4-amino-3,5-dichlorobenzaldehyde is Nc1c(Cl)cc(C=O)cc1Cl.
What is the InChIKey of 4-amino-3,5-dichlorobenzaldehyde?
The InChIKey is LDCXVGKWQBEJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2NO/c8-5-1-4(3-11)2-6(9)7(5)10/h1-3H,10H2.
What are the key properties of 4-amino-3,5-dichlorobenzaldehyde?
4-amino-3,5-dichlorobenzaldehyde has a molecular weight of 190.03 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichlorobenzaldehyde is sourced from PubChem (CID 14509894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).