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

C13H20ClNO3 — CID 104564267

IUPAC4-(chloromethyl)-2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine
SMILESCCc1cc(CCl)cc(OCCOCCOC)n1
InChIInChI=1S/C13H20ClNO3/c1-3-12-8-11(10-14)9-13(15-12)18-7-6-17-5-4-16-2/h8-9H,3-7,10H2,1-2H3
InChIKeyMJOXDFZIQOYHLF-UHFFFAOYSA-N
MW273.76 g/mol
LogP2.42
Rot. Bonds9

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

4-(chloromethyl)-2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine (PubChem CID 104564267) has the molecular formula C13H20ClNO3 and a molecular weight of 273.76 g/mol. Its IUPAC name is 4-(chloromethyl)-2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine.

Molecular Properties

Compound Name4-(chloromethyl)-2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine
PubChem CID104564267
Molecular FormulaC13H20ClNO3
Molecular Weight273.76 g/mol
Exact Mass273.11
IUPAC Name4-(chloromethyl)-2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine
SMILESCCc1cc(CCl)cc(OCCOCCOC)n1
InChIInChI=1S/C13H20ClNO3/c1-3-12-8-11(10-14)9-13(15-12)18-7-6-17-5-4-16-2/h8-9H,3-7,10H2,1-2H3
InChIKeyMJOXDFZIQOYHLF-UHFFFAOYSA-N
XLogP2.42
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 52.42
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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Related Compounds

N-[[2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]methyl]ethanamine
CID 104566462
2-tert-butyl-4-(chloromethyl)-6-[2-(2-methoxyethoxy)ethoxy]pyridine
CID 104564258
2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid
CID 104560469
[2-[3-(2-methoxyethoxy)propoxy]-6-propyl-4-pyridinyl]methanol
CID 103403974
4-(chloromethyl)-2-ethyl-6-(2-methylpentoxy)pyridine
CID 103284574
4-chloro-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-propylpyrimidine
CID 104561317
5-(chloromethyl)-1,3-difluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 104564276
[2-[2-(3-methoxypropoxy)ethoxy]-6-propan-2-yl-4-pyridinyl]methanamine
CID 103180842
5-(chloromethyl)-1,3-dimethoxy-2-[2-(3-methoxypropoxy)ethoxy]benzene
CID 103180740
2-chloro-4-[2-(2-methoxyethoxy)ethoxy]pyrimidine
CID 104561376
[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]methanol
CID 104564147
2-(chloromethyl)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine
CID 113427169

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine?
The IUPAC name of 4-(chloromethyl)-2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine (CID 104564267) is 4-(chloromethyl)-2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine.
What is the SMILES notation for 4-(chloromethyl)-2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine?
The canonical SMILES for 4-(chloromethyl)-2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine is CCc1cc(CCl)cc(OCCOCCOC)n1.
What is the InChIKey of 4-(chloromethyl)-2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine?
The InChIKey is MJOXDFZIQOYHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO3/c1-3-12-8-11(10-14)9-13(15-12)18-7-6-17-5-4-16-2/h8-9H,3-7,10H2,1-2H3.
What are the key properties of 4-(chloromethyl)-2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine?
4-(chloromethyl)-2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine has a molecular weight of 273.76 g/mol, XLogP of 2.42, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine is sourced from PubChem (CID 104564267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).