6-chloro-5-[2-(2,4-dichlorophenoxy)ethoxy]pyridine-2-carbaldehyde

C14H10Cl3NO3 — CID 57393539

IUPAC6-chloro-5-[2-(2,4-dichlorophenoxy)ethoxy]pyridine-2-carbaldehyde
SMILESO=Cc1ccc(OCCOc2ccc(Cl)cc2Cl)c(Cl)n1
InChIInChI=1S/C14H10Cl3NO3/c15-9-1-3-12(11(16)7-9)20-5-6-21-13-4-2-10(8-19)18-14(13)17/h1-4,7-8H,5-6H2
InChIKeyATAGRZOAWANQLR-UHFFFAOYSA-N
MW346.60 g/mol
LogP4.31
Rot. Bonds6

About 6-chloro-5-[2-(2,4-dichlorophenoxy)ethoxy]pyridine-2-carbaldehyde

6-chloro-5-[2-(2,4-dichlorophenoxy)ethoxy]pyridine-2-carbaldehyde (PubChem CID 57393539) has the molecular formula C14H10Cl3NO3 and a molecular weight of 346.60 g/mol. Its IUPAC name is 6-chloro-5-[2-(2,4-dichlorophenoxy)ethoxy]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-chloro-5-[2-(2,4-dichlorophenoxy)ethoxy]pyridine-2-carbaldehyde
PubChem CID57393539
Molecular FormulaC14H10Cl3NO3
Molecular Weight346.60 g/mol
Exact Mass344.97
IUPAC Name6-chloro-5-[2-(2,4-dichlorophenoxy)ethoxy]pyridine-2-carbaldehyde
SMILESO=Cc1ccc(OCCOc2ccc(Cl)cc2Cl)c(Cl)n1
InChIInChI=1S/C14H10Cl3NO3/c15-9-1-3-12(11(16)7-9)20-5-6-21-13-4-2-10(8-19)18-14(13)17/h1-4,7-8H,5-6H2
InChIKeyATAGRZOAWANQLR-UHFFFAOYSA-N
XLogP4.31
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.60
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[2-(2,4-dichlorophenoxy)ethoxy]pyridine-2-carbaldehyde?
The IUPAC name of 6-chloro-5-[2-(2,4-dichlorophenoxy)ethoxy]pyridine-2-carbaldehyde (CID 57393539) is 6-chloro-5-[2-(2,4-dichlorophenoxy)ethoxy]pyridine-2-carbaldehyde.
What is the SMILES notation for 6-chloro-5-[2-(2,4-dichlorophenoxy)ethoxy]pyridine-2-carbaldehyde?
The canonical SMILES for 6-chloro-5-[2-(2,4-dichlorophenoxy)ethoxy]pyridine-2-carbaldehyde is O=Cc1ccc(OCCOc2ccc(Cl)cc2Cl)c(Cl)n1.
What is the InChIKey of 6-chloro-5-[2-(2,4-dichlorophenoxy)ethoxy]pyridine-2-carbaldehyde?
The InChIKey is ATAGRZOAWANQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3NO3/c15-9-1-3-12(11(16)7-9)20-5-6-21-13-4-2-10(8-19)18-14(13)17/h1-4,7-8H,5-6H2.
What are the key properties of 6-chloro-5-[2-(2,4-dichlorophenoxy)ethoxy]pyridine-2-carbaldehyde?
6-chloro-5-[2-(2,4-dichlorophenoxy)ethoxy]pyridine-2-carbaldehyde has a molecular weight of 346.60 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[2-(2,4-dichlorophenoxy)ethoxy]pyridine-2-carbaldehyde is sourced from PubChem (CID 57393539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).