2-tert-butyl-4-(chloromethyl)-6-[2-(2-methoxyethoxy)ethoxy]pyridine

C15H24ClNO3 — CID 104564258

IUPAC2-tert-butyl-4-(chloromethyl)-6-[2-(2-methoxyethoxy)ethoxy]pyridine
SMILESCOCCOCCOc1cc(CCl)cc(C(C)(C)C)n1
InChIInChI=1S/C15H24ClNO3/c1-15(2,3)13-9-12(11-16)10-14(17-13)20-8-7-19-6-5-18-4/h9-10H,5-8,11H2,1-4H3
InChIKeyOHDYZURNTUGNBW-UHFFFAOYSA-N
MW301.81 g/mol
LogP3.16
Rot. Bonds8

About 2-tert-butyl-4-(chloromethyl)-6-[2-(2-methoxyethoxy)ethoxy]pyridine

2-tert-butyl-4-(chloromethyl)-6-[2-(2-methoxyethoxy)ethoxy]pyridine (PubChem CID 104564258) has the molecular formula C15H24ClNO3 and a molecular weight of 301.81 g/mol. Its IUPAC name is 2-tert-butyl-4-(chloromethyl)-6-[2-(2-methoxyethoxy)ethoxy]pyridine.

Molecular Properties

Compound Name2-tert-butyl-4-(chloromethyl)-6-[2-(2-methoxyethoxy)ethoxy]pyridine
PubChem CID104564258
Molecular FormulaC15H24ClNO3
Molecular Weight301.81 g/mol
Exact Mass301.14
IUPAC Name2-tert-butyl-4-(chloromethyl)-6-[2-(2-methoxyethoxy)ethoxy]pyridine
SMILESCOCCOCCOc1cc(CCl)cc(C(C)(C)C)n1
InChIInChI=1S/C15H24ClNO3/c1-15(2,3)13-9-12(11-16)10-14(17-13)20-8-7-19-6-5-18-4/h9-10H,5-8,11H2,1-4H3
InChIKeyOHDYZURNTUGNBW-UHFFFAOYSA-N
XLogP3.16
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.81
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(chloromethyl)-6-[2-(2-methoxyethoxy)ethoxy]pyridine?
The IUPAC name of 2-tert-butyl-4-(chloromethyl)-6-[2-(2-methoxyethoxy)ethoxy]pyridine (CID 104564258) is 2-tert-butyl-4-(chloromethyl)-6-[2-(2-methoxyethoxy)ethoxy]pyridine.
What is the SMILES notation for 2-tert-butyl-4-(chloromethyl)-6-[2-(2-methoxyethoxy)ethoxy]pyridine?
The canonical SMILES for 2-tert-butyl-4-(chloromethyl)-6-[2-(2-methoxyethoxy)ethoxy]pyridine is COCCOCCOc1cc(CCl)cc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-(chloromethyl)-6-[2-(2-methoxyethoxy)ethoxy]pyridine?
The InChIKey is OHDYZURNTUGNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO3/c1-15(2,3)13-9-12(11-16)10-14(17-13)20-8-7-19-6-5-18-4/h9-10H,5-8,11H2,1-4H3.
What are the key properties of 2-tert-butyl-4-(chloromethyl)-6-[2-(2-methoxyethoxy)ethoxy]pyridine?
2-tert-butyl-4-(chloromethyl)-6-[2-(2-methoxyethoxy)ethoxy]pyridine has a molecular weight of 301.81 g/mol, XLogP of 3.16, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(chloromethyl)-6-[2-(2-methoxyethoxy)ethoxy]pyridine is sourced from PubChem (CID 104564258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).