2-chloro-6-[(3-chloro-4-fluorophenoxy)methyl]pyridine

C12H8Cl2FNO — CID 79040362

IUPAC2-chloro-6-[(3-chloro-4-fluorophenoxy)methyl]pyridine
SMILESFc1ccc(OCc2cccc(Cl)n2)cc1Cl
InChIInChI=1S/C12H8Cl2FNO/c13-10-6-9(4-5-11(10)15)17-7-8-2-1-3-12(14)16-8/h1-6H,7H2
InChIKeyQKDJVKDQTFRQAE-UHFFFAOYSA-N
MW272.11 g/mol
LogP4.11
Rot. Bonds3

About 2-chloro-6-[(3-chloro-4-fluorophenoxy)methyl]pyridine

2-chloro-6-[(3-chloro-4-fluorophenoxy)methyl]pyridine (PubChem CID 79040362) has the molecular formula C12H8Cl2FNO and a molecular weight of 272.11 g/mol. Its IUPAC name is 2-chloro-6-[(3-chloro-4-fluorophenoxy)methyl]pyridine.

Molecular Properties

Compound Name2-chloro-6-[(3-chloro-4-fluorophenoxy)methyl]pyridine
PubChem CID79040362
Molecular FormulaC12H8Cl2FNO
Molecular Weight272.11 g/mol
Exact Mass271.00
IUPAC Name2-chloro-6-[(3-chloro-4-fluorophenoxy)methyl]pyridine
SMILESFc1ccc(OCc2cccc(Cl)n2)cc1Cl
InChIInChI=1S/C12H8Cl2FNO/c13-10-6-9(4-5-11(10)15)17-7-8-2-1-3-12(14)16-8/h1-6H,7H2
InChIKeyQKDJVKDQTFRQAE-UHFFFAOYSA-N
XLogP4.11
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.11
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(3-chloro-4-fluorophenoxy)methyl]pyridine?
The IUPAC name of 2-chloro-6-[(3-chloro-4-fluorophenoxy)methyl]pyridine (CID 79040362) is 2-chloro-6-[(3-chloro-4-fluorophenoxy)methyl]pyridine.
What is the SMILES notation for 2-chloro-6-[(3-chloro-4-fluorophenoxy)methyl]pyridine?
The canonical SMILES for 2-chloro-6-[(3-chloro-4-fluorophenoxy)methyl]pyridine is Fc1ccc(OCc2cccc(Cl)n2)cc1Cl.
What is the InChIKey of 2-chloro-6-[(3-chloro-4-fluorophenoxy)methyl]pyridine?
The InChIKey is QKDJVKDQTFRQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FNO/c13-10-6-9(4-5-11(10)15)17-7-8-2-1-3-12(14)16-8/h1-6H,7H2.
What are the key properties of 2-chloro-6-[(3-chloro-4-fluorophenoxy)methyl]pyridine?
2-chloro-6-[(3-chloro-4-fluorophenoxy)methyl]pyridine has a molecular weight of 272.11 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(3-chloro-4-fluorophenoxy)methyl]pyridine is sourced from PubChem (CID 79040362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).