2-chloro-6-(2,5-dichlorophenyl)pyridine-4-carbaldehyde

C12H6Cl3NO — CID 119017180

IUPAC2-chloro-6-(2,5-dichlorophenyl)pyridine-4-carbaldehyde
SMILESO=Cc1cc(Cl)nc(-c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C12H6Cl3NO/c13-8-1-2-10(14)9(5-8)11-3-7(6-17)4-12(15)16-11/h1-6H
InChIKeyYVWFPGIBYUEYDJ-UHFFFAOYSA-N
MW286.55 g/mol
LogP4.52
Rot. Bonds2

About 2-chloro-6-(2,5-dichlorophenyl)pyridine-4-carbaldehyde

2-chloro-6-(2,5-dichlorophenyl)pyridine-4-carbaldehyde (PubChem CID 119017180) has the molecular formula C12H6Cl3NO and a molecular weight of 286.55 g/mol. Its IUPAC name is 2-chloro-6-(2,5-dichlorophenyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-chloro-6-(2,5-dichlorophenyl)pyridine-4-carbaldehyde
PubChem CID119017180
Molecular FormulaC12H6Cl3NO
Molecular Weight286.55 g/mol
Exact Mass284.95
IUPAC Name2-chloro-6-(2,5-dichlorophenyl)pyridine-4-carbaldehyde
SMILESO=Cc1cc(Cl)nc(-c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C12H6Cl3NO/c13-8-1-2-10(14)9(5-8)11-3-7(6-17)4-12(15)16-11/h1-6H
InChIKeyYVWFPGIBYUEYDJ-UHFFFAOYSA-N
XLogP4.52
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.55
LogP ≤ 54.52
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2,5-dichlorophenyl)pyridine-4-carbaldehyde?
The IUPAC name of 2-chloro-6-(2,5-dichlorophenyl)pyridine-4-carbaldehyde (CID 119017180) is 2-chloro-6-(2,5-dichlorophenyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 2-chloro-6-(2,5-dichlorophenyl)pyridine-4-carbaldehyde?
The canonical SMILES for 2-chloro-6-(2,5-dichlorophenyl)pyridine-4-carbaldehyde is O=Cc1cc(Cl)nc(-c2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 2-chloro-6-(2,5-dichlorophenyl)pyridine-4-carbaldehyde?
The InChIKey is YVWFPGIBYUEYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3NO/c13-8-1-2-10(14)9(5-8)11-3-7(6-17)4-12(15)16-11/h1-6H.
What are the key properties of 2-chloro-6-(2,5-dichlorophenyl)pyridine-4-carbaldehyde?
2-chloro-6-(2,5-dichlorophenyl)pyridine-4-carbaldehyde has a molecular weight of 286.55 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,5-dichlorophenyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 119017180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).