5-(chloromethyl)-2-ethoxy-3-(2-ethoxy-4-pyridinyl)pyridine

C15H17ClN2O2 — CID 118654823

IUPAC5-(chloromethyl)-2-ethoxy-3-(2-ethoxy-4-pyridinyl)pyridine
SMILESCCOc1cc(-c2cc(CCl)cnc2OCC)ccn1
InChIInChI=1S/C15H17ClN2O2/c1-3-19-14-8-12(5-6-17-14)13-7-11(9-16)10-18-15(13)20-4-2/h5-8,10H,3-4,9H2,1-2H3
InChIKeyGILYTWJXZKJSNU-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.68
Rot. Bonds6

About 5-(chloromethyl)-2-ethoxy-3-(2-ethoxy-4-pyridinyl)pyridine

5-(chloromethyl)-2-ethoxy-3-(2-ethoxy-4-pyridinyl)pyridine (PubChem CID 118654823) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 5-(chloromethyl)-2-ethoxy-3-(2-ethoxy-4-pyridinyl)pyridine.

Molecular Properties

Compound Name5-(chloromethyl)-2-ethoxy-3-(2-ethoxy-4-pyridinyl)pyridine
PubChem CID118654823
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name5-(chloromethyl)-2-ethoxy-3-(2-ethoxy-4-pyridinyl)pyridine
SMILESCCOc1cc(-c2cc(CCl)cnc2OCC)ccn1
InChIInChI=1S/C15H17ClN2O2/c1-3-19-14-8-12(5-6-17-14)13-7-11(9-16)10-18-15(13)20-4-2/h5-8,10H,3-4,9H2,1-2H3
InChIKeyGILYTWJXZKJSNU-UHFFFAOYSA-N
XLogP3.68
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(difluoromethoxy)-4-pyridinyl]-2-ethoxy-5-[(5-fluoro-3-pyridinyl)methyl]pyridine;ethane
CID 144726609
5-(chloromethyl)-2-ethoxypyridine
CID 10535190
5-(chloromethyl)-2-ethoxypyridine;hydrochloride
CID 21271667
2-ethoxy-4-(3-fluoro-2-pyridinyl)pyridine
CID 173296229
methyl 5-(2-chloro-4-pyridinyl)-2-ethoxy-3-methoxypyridine-4-carboxylate
CID 175549631
5-[4-(chloromethyl)phenyl]-2-ethoxypyridine
CID 67173780
4-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine
CID 61269154
4-bromo-2-ethoxypyridine
CID 2762557
2-[[4-(chloromethyl)-2-pyridinyl]oxy]-N,N-diethylethanamine
CID 61268983
2-chloro-4-iodopyridine;2-ethoxy-4-iodopyridine
CID 158706729
N-[4-(chloromethyl)phenyl]-4-ethoxypyrimidin-2-amine
CID 112639276
4-(chloromethyl)-2-methoxypyridine;hydrochloride
CID 22625003

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-ethoxy-3-(2-ethoxy-4-pyridinyl)pyridine?
The IUPAC name of 5-(chloromethyl)-2-ethoxy-3-(2-ethoxy-4-pyridinyl)pyridine (CID 118654823) is 5-(chloromethyl)-2-ethoxy-3-(2-ethoxy-4-pyridinyl)pyridine.
What is the SMILES notation for 5-(chloromethyl)-2-ethoxy-3-(2-ethoxy-4-pyridinyl)pyridine?
The canonical SMILES for 5-(chloromethyl)-2-ethoxy-3-(2-ethoxy-4-pyridinyl)pyridine is CCOc1cc(-c2cc(CCl)cnc2OCC)ccn1.
What is the InChIKey of 5-(chloromethyl)-2-ethoxy-3-(2-ethoxy-4-pyridinyl)pyridine?
The InChIKey is GILYTWJXZKJSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-3-19-14-8-12(5-6-17-14)13-7-11(9-16)10-18-15(13)20-4-2/h5-8,10H,3-4,9H2,1-2H3.
What are the key properties of 5-(chloromethyl)-2-ethoxy-3-(2-ethoxy-4-pyridinyl)pyridine?
5-(chloromethyl)-2-ethoxy-3-(2-ethoxy-4-pyridinyl)pyridine has a molecular weight of 292.77 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-ethoxy-3-(2-ethoxy-4-pyridinyl)pyridine is sourced from PubChem (CID 118654823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).