5,6-dichloropyridine-3-carbaldehyde

C6H3Cl2NO — CID 11535654

IUPAC5,6-dichloropyridine-3-carbaldehyde
SMILESO=Cc1cnc(Cl)c(Cl)c1
InChIInChI=1S/C6H3Cl2NO/c7-5-1-4(3-10)2-9-6(5)8/h1-3H
InChIKeyROSCFXKNBQZLFC-UHFFFAOYSA-N
MW176.00 g/mol
LogP2.20
Rot. Bonds1

About 5,6-dichloropyridine-3-carbaldehyde

5,6-dichloropyridine-3-carbaldehyde (PubChem CID 11535654) has the molecular formula C6H3Cl2NO and a molecular weight of 176.00 g/mol. Its IUPAC name is 5,6-dichloropyridine-3-carbaldehyde.

Molecular Properties

Compound Name5,6-dichloropyridine-3-carbaldehyde
PubChem CID11535654
Molecular FormulaC6H3Cl2NO
Molecular Weight176.00 g/mol
Exact Mass174.96
IUPAC Name5,6-dichloropyridine-3-carbaldehyde
SMILESO=Cc1cnc(Cl)c(Cl)c1
InChIInChI=1S/C6H3Cl2NO/c7-5-1-4(3-10)2-9-6(5)8/h1-3H
InChIKeyROSCFXKNBQZLFC-UHFFFAOYSA-N
XLogP2.20
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.00
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5,6-dichloropyridine-3-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

6-chloro-5-(3,5-dichlorophenyl)pyridine-3-carbaldehyde
CID 133088126
6-chloro-5-ethenylpyridine-3-carbaldehyde
CID 89205442
5-chloro-6-isocyanopyridine-3-carbaldehyde
CID 58001744
6,8-dichloroquinoline-3-carbaldehyde
CID 131507049
5-chloro-6-(3,4,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 134636021
3-(5,6-dichloro-3-pyridinyl)prop-2-enamide
CID 169481566
3-(5,6-dichloro-3-pyridinyl)prop-2-en-1-amine
CID 169463327
5-chloro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 134637324
2,3-dichloro-5-(4-chlorobut-1-enyl)pyridine
CID 170498876
5-fluoro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 134637533
5-chloro-6-cyclohexyloxypyridine-3-carbaldehyde
CID 131539537
4-(6-chloro-5-fluoro-3-pyridinyl)benzaldehyde
CID 118798759

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloropyridine-3-carbaldehyde?
The IUPAC name of 5,6-dichloropyridine-3-carbaldehyde (CID 11535654) is 5,6-dichloropyridine-3-carbaldehyde.
What is the SMILES notation for 5,6-dichloropyridine-3-carbaldehyde?
The canonical SMILES for 5,6-dichloropyridine-3-carbaldehyde is O=Cc1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloropyridine-3-carbaldehyde?
The InChIKey is ROSCFXKNBQZLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2NO/c7-5-1-4(3-10)2-9-6(5)8/h1-3H.
What are the key properties of 5,6-dichloropyridine-3-carbaldehyde?
5,6-dichloropyridine-3-carbaldehyde has a molecular weight of 176.00 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloropyridine-3-carbaldehyde is sourced from PubChem (CID 11535654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).