3,5-dichloro-4-(methylamino)benzaldehyde

C8H7Cl2NO — CID 46173678

IUPAC3,5-dichloro-4-(methylamino)benzaldehyde
SMILESCNc1c(Cl)cc(C=O)cc1Cl
InChIInChI=1S/C8H7Cl2NO/c1-11-8-6(9)2-5(4-12)3-7(8)10/h2-4,11H,1H3
InChIKeyBLPKMVVXZZBBAP-UHFFFAOYSA-N
MW204.06 g/mol
LogP2.85
Rot. Bonds2

About 3,5-dichloro-4-(methylamino)benzaldehyde

3,5-dichloro-4-(methylamino)benzaldehyde (PubChem CID 46173678) has the molecular formula C8H7Cl2NO and a molecular weight of 204.06 g/mol. Its IUPAC name is 3,5-dichloro-4-(methylamino)benzaldehyde.

Molecular Properties

Compound Name3,5-dichloro-4-(methylamino)benzaldehyde
PubChem CID46173678
Molecular FormulaC8H7Cl2NO
Molecular Weight204.06 g/mol
Exact Mass202.99
IUPAC Name3,5-dichloro-4-(methylamino)benzaldehyde
SMILESCNc1c(Cl)cc(C=O)cc1Cl
InChIInChI=1S/C8H7Cl2NO/c1-11-8-6(9)2-5(4-12)3-7(8)10/h2-4,11H,1H3
InChIKeyBLPKMVVXZZBBAP-UHFFFAOYSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.06
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,5-dichloro-4-(methylamino)benzaldehyde 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 3,5-dichloro-4-(methylamino)benzaldehyde?
The IUPAC name of 3,5-dichloro-4-(methylamino)benzaldehyde (CID 46173678) is 3,5-dichloro-4-(methylamino)benzaldehyde.
What is the SMILES notation for 3,5-dichloro-4-(methylamino)benzaldehyde?
The canonical SMILES for 3,5-dichloro-4-(methylamino)benzaldehyde is CNc1c(Cl)cc(C=O)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-(methylamino)benzaldehyde?
The InChIKey is BLPKMVVXZZBBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO/c1-11-8-6(9)2-5(4-12)3-7(8)10/h2-4,11H,1H3.
What are the key properties of 3,5-dichloro-4-(methylamino)benzaldehyde?
3,5-dichloro-4-(methylamino)benzaldehyde has a molecular weight of 204.06 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(methylamino)benzaldehyde is sourced from PubChem (CID 46173678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).