2,4,5-trichloropyridine-3-carbaldehyde

C6H2Cl3NO — CID 134453137

IUPAC2,4,5-trichloropyridine-3-carbaldehyde
SMILESO=Cc1c(Cl)ncc(Cl)c1Cl
InChIInChI=1S/C6H2Cl3NO/c7-4-1-10-6(9)3(2-11)5(4)8/h1-2H
InChIKeyDZJOELLDBCXMRU-UHFFFAOYSA-N
MW210.45 g/mol
LogP2.85
Rot. Bonds1

About 2,4,5-trichloropyridine-3-carbaldehyde

2,4,5-trichloropyridine-3-carbaldehyde (PubChem CID 134453137) has the molecular formula C6H2Cl3NO and a molecular weight of 210.45 g/mol. Its IUPAC name is 2,4,5-trichloropyridine-3-carbaldehyde.

Molecular Properties

Compound Name2,4,5-trichloropyridine-3-carbaldehyde
PubChem CID134453137
Molecular FormulaC6H2Cl3NO
Molecular Weight210.45 g/mol
Exact Mass208.92
IUPAC Name2,4,5-trichloropyridine-3-carbaldehyde
SMILESO=Cc1c(Cl)ncc(Cl)c1Cl
InChIInChI=1S/C6H2Cl3NO/c7-4-1-10-6(9)3(2-11)5(4)8/h1-2H
InChIKeyDZJOELLDBCXMRU-UHFFFAOYSA-N
XLogP2.85
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.45
LogP ≤ 52.85
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 2,4,5-trichloropyridine-3-carbaldehyde?
The IUPAC name of 2,4,5-trichloropyridine-3-carbaldehyde (CID 134453137) is 2,4,5-trichloropyridine-3-carbaldehyde.
What is the SMILES notation for 2,4,5-trichloropyridine-3-carbaldehyde?
The canonical SMILES for 2,4,5-trichloropyridine-3-carbaldehyde is O=Cc1c(Cl)ncc(Cl)c1Cl.
What is the InChIKey of 2,4,5-trichloropyridine-3-carbaldehyde?
The InChIKey is DZJOELLDBCXMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl3NO/c7-4-1-10-6(9)3(2-11)5(4)8/h1-2H.
What are the key properties of 2,4,5-trichloropyridine-3-carbaldehyde?
2,4,5-trichloropyridine-3-carbaldehyde has a molecular weight of 210.45 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trichloropyridine-3-carbaldehyde is sourced from PubChem (CID 134453137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).