3-amino-6,7-dichloronaphthalene-2-carbaldehyde

C11H7Cl2NO — CID 57122815

IUPAC3-amino-6,7-dichloronaphthalene-2-carbaldehyde
SMILESNc1cc2cc(Cl)c(Cl)cc2cc1C=O
InChIInChI=1S/C11H7Cl2NO/c12-9-2-6-1-8(5-15)11(14)4-7(6)3-10(9)13/h1-5H,14H2
InChIKeyJOKASSFXDRVAOF-UHFFFAOYSA-N
MW240.09 g/mol
LogP3.54
Rot. Bonds1

About 3-amino-6,7-dichloronaphthalene-2-carbaldehyde

3-amino-6,7-dichloronaphthalene-2-carbaldehyde (PubChem CID 57122815) has the molecular formula C11H7Cl2NO and a molecular weight of 240.09 g/mol. Its IUPAC name is 3-amino-6,7-dichloronaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name3-amino-6,7-dichloronaphthalene-2-carbaldehyde
PubChem CID57122815
Molecular FormulaC11H7Cl2NO
Molecular Weight240.09 g/mol
Exact Mass238.99
IUPAC Name3-amino-6,7-dichloronaphthalene-2-carbaldehyde
SMILESNc1cc2cc(Cl)c(Cl)cc2cc1C=O
InChIInChI=1S/C11H7Cl2NO/c12-9-2-6-1-8(5-15)11(14)4-7(6)3-10(9)13/h1-5H,14H2
InChIKeyJOKASSFXDRVAOF-UHFFFAOYSA-N
XLogP3.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.09
LogP ≤ 53.54
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'}

Analyze 3-amino-6,7-dichloronaphthalene-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-6,7-dichloronaphthalene-2-carbaldehyde?
The IUPAC name of 3-amino-6,7-dichloronaphthalene-2-carbaldehyde (CID 57122815) is 3-amino-6,7-dichloronaphthalene-2-carbaldehyde.
What is the SMILES notation for 3-amino-6,7-dichloronaphthalene-2-carbaldehyde?
The canonical SMILES for 3-amino-6,7-dichloronaphthalene-2-carbaldehyde is Nc1cc2cc(Cl)c(Cl)cc2cc1C=O.
What is the InChIKey of 3-amino-6,7-dichloronaphthalene-2-carbaldehyde?
The InChIKey is JOKASSFXDRVAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NO/c12-9-2-6-1-8(5-15)11(14)4-7(6)3-10(9)13/h1-5H,14H2.
What are the key properties of 3-amino-6,7-dichloronaphthalene-2-carbaldehyde?
3-amino-6,7-dichloronaphthalene-2-carbaldehyde has a molecular weight of 240.09 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6,7-dichloronaphthalene-2-carbaldehyde is sourced from PubChem (CID 57122815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).