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

C13H20ClNO4 — CID 113427169

IUPAC2-(chloromethyl)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine
SMILESCOCCOCCOCCOc1ccnc(CCl)c1
InChIInChI=1S/C13H20ClNO4/c1-16-4-5-17-6-7-18-8-9-19-13-2-3-15-12(10-13)11-14/h2-3,10H,4-9,11H2,1H3
InChIKeyKQSYZMIFFOLKGM-UHFFFAOYSA-N
MW289.76 g/mol
LogP1.88
Rot. Bonds11

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

2-(chloromethyl)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine (PubChem CID 113427169) has the molecular formula C13H20ClNO4 and a molecular weight of 289.76 g/mol. Its IUPAC name is 2-(chloromethyl)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine
PubChem CID113427169
Molecular FormulaC13H20ClNO4
Molecular Weight289.76 g/mol
Exact Mass289.11
IUPAC Name2-(chloromethyl)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine
SMILESCOCCOCCOCCOc1ccnc(CCl)c1
InChIInChI=1S/C13H20ClNO4/c1-16-4-5-17-6-7-18-8-9-19-13-2-3-15-12(10-13)11-14/h2-3,10H,4-9,11H2,1H3
InChIKeyKQSYZMIFFOLKGM-UHFFFAOYSA-N
XLogP1.88
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

[4-(2-methoxyethoxy)-2-pyridinyl]methanamine
CID 62292533
N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]ethanamine
CID 104566339
N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]propan-2-amine
CID 104566433
N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 104566255
1-[4-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]-N-methylmethanamine
CID 103180750
2-chloro-4-[3-(2-methoxyethoxy)propoxy]pyridine
CID 103402231
N-[[4-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]methyl]ethanamine
CID 103180865
2-(chloromethyl)-4-(2-cyclopropylethoxy)pyridine;hydrochloride
CID 162326709
4-[2-(2-methoxyethoxy)ethoxy]-N-propylpyridin-2-amine
CID 104568201
2-chloro-4-(2-propoxyethoxy)pyridine
CID 63778475
1-(chloromethyl)-3-[3-(2-methoxyethoxy)propoxy]benzene
CID 103410378
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-pyridinyl]oxy]ethoxy]ethoxy]ethoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]carbamate
CID 171721139

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine?
The IUPAC name of 2-(chloromethyl)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine (CID 113427169) is 2-(chloromethyl)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine.
What is the SMILES notation for 2-(chloromethyl)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine?
The canonical SMILES for 2-(chloromethyl)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine is COCCOCCOCCOc1ccnc(CCl)c1.
What is the InChIKey of 2-(chloromethyl)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine?
The InChIKey is KQSYZMIFFOLKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO4/c1-16-4-5-17-6-7-18-8-9-19-13-2-3-15-12(10-13)11-14/h2-3,10H,4-9,11H2,1H3.
What are the key properties of 2-(chloromethyl)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine?
2-(chloromethyl)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine has a molecular weight of 289.76 g/mol, XLogP of 1.88, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine is sourced from PubChem (CID 113427169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).