2-(chloromethyl)-6-methyl-3-[2-(2-methylpropoxy)ethoxy]pyridine

C13H20ClNO2 — CID 106454022

IUPAC2-(chloromethyl)-6-methyl-3-[2-(2-methylpropoxy)ethoxy]pyridine
SMILESCc1ccc(OCCOCC(C)C)c(CCl)n1
InChIInChI=1S/C13H20ClNO2/c1-10(2)9-16-6-7-17-13-5-4-11(3)15-12(13)8-14/h4-5,10H,6-9H2,1-3H3
InChIKeyYSDDDCDGULJMKH-UHFFFAOYSA-N
MW257.76 g/mol
LogP3.18
Rot. Bonds7

About 2-(chloromethyl)-6-methyl-3-[2-(2-methylpropoxy)ethoxy]pyridine

2-(chloromethyl)-6-methyl-3-[2-(2-methylpropoxy)ethoxy]pyridine (PubChem CID 106454022) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 2-(chloromethyl)-6-methyl-3-[2-(2-methylpropoxy)ethoxy]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-6-methyl-3-[2-(2-methylpropoxy)ethoxy]pyridine
PubChem CID106454022
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name2-(chloromethyl)-6-methyl-3-[2-(2-methylpropoxy)ethoxy]pyridine
SMILESCc1ccc(OCCOCC(C)C)c(CCl)n1
InChIInChI=1S/C13H20ClNO2/c1-10(2)9-16-6-7-17-13-5-4-11(3)15-12(13)8-14/h4-5,10H,6-9H2,1-3H3
InChIKeyYSDDDCDGULJMKH-UHFFFAOYSA-N
XLogP3.18
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methyl-1-[6-methyl-3-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]methanamine
CID 106450396
2-(chloromethyl)-6-methyl-3-(2-propoxyethoxy)pyridine
CID 106454021
2-(chloromethyl)-6-methyl-3-(2-phenoxyethoxy)pyridine
CID 79168619
2-(chloromethyl)-3-(3-ethoxypropoxy)-6-methylpyridine
CID 79169037
2-(chloromethyl)-3-(2-cyclopropylethoxy)-6-methylpyridine
CID 79168865
N-[[3-(2-ethoxyethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 79156805
3-(5-chloro-3-methylpentoxy)-2-ethyl-6-methylpyridine
CID 103174565
3-(6-chlorohexoxy)-2-ethyl-6-methylpyridine
CID 103174559
N-[[3-(2-butoxyethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 79158487
2-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethoxy]ethanesulfonyl chloride
CID 103176066
3-chloro-6-[2-(2-methylpropoxy)ethoxy]pyridazine
CID 106447482
2-(chloromethyl)-3-[(2,6-dichlorophenyl)methoxy]-6-methylpyridine
CID 79169539

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-methyl-3-[2-(2-methylpropoxy)ethoxy]pyridine?
The IUPAC name of 2-(chloromethyl)-6-methyl-3-[2-(2-methylpropoxy)ethoxy]pyridine (CID 106454022) is 2-(chloromethyl)-6-methyl-3-[2-(2-methylpropoxy)ethoxy]pyridine.
What is the SMILES notation for 2-(chloromethyl)-6-methyl-3-[2-(2-methylpropoxy)ethoxy]pyridine?
The canonical SMILES for 2-(chloromethyl)-6-methyl-3-[2-(2-methylpropoxy)ethoxy]pyridine is Cc1ccc(OCCOCC(C)C)c(CCl)n1.
What is the InChIKey of 2-(chloromethyl)-6-methyl-3-[2-(2-methylpropoxy)ethoxy]pyridine?
The InChIKey is YSDDDCDGULJMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-10(2)9-16-6-7-17-13-5-4-11(3)15-12(13)8-14/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 2-(chloromethyl)-6-methyl-3-[2-(2-methylpropoxy)ethoxy]pyridine?
2-(chloromethyl)-6-methyl-3-[2-(2-methylpropoxy)ethoxy]pyridine has a molecular weight of 257.76 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-methyl-3-[2-(2-methylpropoxy)ethoxy]pyridine is sourced from PubChem (CID 106454022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).