2-amino-3,5-dichlorobenzaldehyde

C7H5Cl2NO — CID 23587255

IUPAC2-amino-3,5-dichlorobenzaldehyde
SMILESNc1c(Cl)cc(Cl)cc1C=O
InChIInChI=1S/C7H5Cl2NO/c8-5-1-4(3-11)7(10)6(9)2-5/h1-3H,10H2
InChIKeyGTAKYWVLPLTYSK-UHFFFAOYSA-N
MW190.03 g/mol
LogP2.39
Rot. Bonds1

About 2-amino-3,5-dichlorobenzaldehyde

2-amino-3,5-dichlorobenzaldehyde (PubChem CID 23587255) has the molecular formula C7H5Cl2NO and a molecular weight of 190.03 g/mol. Its IUPAC name is 2-amino-3,5-dichlorobenzaldehyde.

Molecular Properties

Compound Name2-amino-3,5-dichlorobenzaldehyde
PubChem CID23587255
Molecular FormulaC7H5Cl2NO
Molecular Weight190.03 g/mol
Exact Mass188.97
IUPAC Name2-amino-3,5-dichlorobenzaldehyde
SMILESNc1c(Cl)cc(Cl)cc1C=O
InChIInChI=1S/C7H5Cl2NO/c8-5-1-4(3-11)7(10)6(9)2-5/h1-3H,10H2
InChIKeyGTAKYWVLPLTYSK-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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Related Compounds

2-Amino-5-chlorobenzamide
CID 78876
2-Amino-5-chlorobenzaldehyde
CID 2773898
3,5-Dichloroanthranilamide
CID 286617
1-(2-Amino-3-chlorophenyl)-2-chloroethan-1-one
CID 12477778
2-Amino-3-chlorobenzamide
CID 14100428
3,5-Dichloro-2-[(1e)-3,3-dimethyltriaz-1-en-1-yl]benzamide
CID 287003
3-Chloro-2-nitrobenzaldehyde
CID 12248972
1-(2-Amino-3-chlorophenyl)ethanone
CID 23380945
2-Amino-3-chlorobenzaldehyde
CID 23510442
2-Amino-5-chloro-4-fluorobenzaldehyde
CID 114553798
2-amino-3,5-dichloro-N-hydroxybenzamide
CID 2768983
4-Amino-3,5-dichlorobenzaldehyde
CID 14509894

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,5-dichlorobenzaldehyde?
The IUPAC name of 2-amino-3,5-dichlorobenzaldehyde (CID 23587255) is 2-amino-3,5-dichlorobenzaldehyde.
What is the SMILES notation for 2-amino-3,5-dichlorobenzaldehyde?
The canonical SMILES for 2-amino-3,5-dichlorobenzaldehyde is Nc1c(Cl)cc(Cl)cc1C=O.
What is the InChIKey of 2-amino-3,5-dichlorobenzaldehyde?
The InChIKey is GTAKYWVLPLTYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2NO/c8-5-1-4(3-11)7(10)6(9)2-5/h1-3H,10H2.
What are the key properties of 2-amino-3,5-dichlorobenzaldehyde?
2-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 2-amino-3,5-dichlorobenzaldehyde is sourced from PubChem (CID 23587255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).