2,5-bis(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde

C18H7Cl6NO — CID 134637848

IUPAC2,5-bis(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde
SMILESO=Cc1cc(-c2c(Cl)cc(Cl)cc2Cl)cnc1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C18H7Cl6NO/c19-10-2-12(21)16(13(22)3-10)8-1-9(7-26)18(25-6-8)17-14(23)4-11(20)5-15(17)24/h1-7H
InChIKeyRNZBAQMOOMUJFN-UHFFFAOYSA-N
MW465.98 g/mol
LogP8.15
Rot. Bonds3

About 2,5-bis(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde

2,5-bis(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde (PubChem CID 134637848) has the molecular formula C18H7Cl6NO and a molecular weight of 465.98 g/mol. Its IUPAC name is 2,5-bis(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2,5-bis(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde
PubChem CID134637848
Molecular FormulaC18H7Cl6NO
Molecular Weight465.98 g/mol
Exact Mass462.87
IUPAC Name2,5-bis(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde
SMILESO=Cc1cc(-c2c(Cl)cc(Cl)cc2Cl)cnc1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C18H7Cl6NO/c19-10-2-12(21)16(13(22)3-10)8-1-9(7-26)18(25-6-8)17-14(23)4-11(20)5-15(17)24/h1-7H
InChIKeyRNZBAQMOOMUJFN-UHFFFAOYSA-N
XLogP8.15
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.98
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde?
The IUPAC name of 2,5-bis(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde (CID 134637848) is 2,5-bis(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2,5-bis(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2,5-bis(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde is O=Cc1cc(-c2c(Cl)cc(Cl)cc2Cl)cnc1-c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2,5-bis(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde?
The InChIKey is RNZBAQMOOMUJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H7Cl6NO/c19-10-2-12(21)16(13(22)3-10)8-1-9(7-26)18(25-6-8)17-14(23)4-11(20)5-15(17)24/h1-7H.
What are the key properties of 2,5-bis(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde?
2,5-bis(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde has a molecular weight of 465.98 g/mol, XLogP of 8.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 134637848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).