3-chloro-5-(methylamino)benzaldehyde

C8H8ClNO — CID 59897653

IUPAC3-chloro-5-(methylamino)benzaldehyde
SMILESCNc1cc(Cl)cc(C=O)c1
InChIInChI=1S/C8H8ClNO/c1-10-8-3-6(5-11)2-7(9)4-8/h2-5,10H,1H3
InChIKeyFHEKAFYQZUZIQH-UHFFFAOYSA-N
MW169.61 g/mol
LogP2.19
Rot. Bonds2

About 3-chloro-5-(methylamino)benzaldehyde

3-chloro-5-(methylamino)benzaldehyde (PubChem CID 59897653) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is 3-chloro-5-(methylamino)benzaldehyde.

Molecular Properties

Compound Name3-chloro-5-(methylamino)benzaldehyde
PubChem CID59897653
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC Name3-chloro-5-(methylamino)benzaldehyde
SMILESCNc1cc(Cl)cc(C=O)c1
InChIInChI=1S/C8H8ClNO/c1-10-8-3-6(5-11)2-7(9)4-8/h2-5,10H,1H3
InChIKeyFHEKAFYQZUZIQH-UHFFFAOYSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-5-(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-chloro-5-(methylamino)benzaldehyde?
The IUPAC name of 3-chloro-5-(methylamino)benzaldehyde (CID 59897653) is 3-chloro-5-(methylamino)benzaldehyde.
What is the SMILES notation for 3-chloro-5-(methylamino)benzaldehyde?
The canonical SMILES for 3-chloro-5-(methylamino)benzaldehyde is CNc1cc(Cl)cc(C=O)c1.
What is the InChIKey of 3-chloro-5-(methylamino)benzaldehyde?
The InChIKey is FHEKAFYQZUZIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO/c1-10-8-3-6(5-11)2-7(9)4-8/h2-5,10H,1H3.
What are the key properties of 3-chloro-5-(methylamino)benzaldehyde?
3-chloro-5-(methylamino)benzaldehyde has a molecular weight of 169.61 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(methylamino)benzaldehyde is sourced from PubChem (CID 59897653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).