2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyridine

C15H16ClNO2 — CID 43366814

IUPAC2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyridine
SMILESCCOc1cccc(CCl)c1OCc1ccccn1
InChIInChI=1S/C15H16ClNO2/c1-2-18-14-8-5-6-12(10-16)15(14)19-11-13-7-3-4-9-17-13/h3-9H,2,10-11H2,1H3
InChIKeyMABDTKWZGZCWDR-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.80
Rot. Bonds6

About 2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyridine

2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyridine (PubChem CID 43366814) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyridine.

Molecular Properties

Compound Name2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyridine
PubChem CID43366814
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyridine
SMILESCCOc1cccc(CCl)c1OCc1ccccn1
InChIInChI=1S/C15H16ClNO2/c1-2-18-14-8-5-6-12(10-16)15(14)19-11-13-7-3-4-9-17-13/h3-9H,2,10-11H2,1H3
InChIKeyMABDTKWZGZCWDR-UHFFFAOYSA-N
XLogP3.80
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-ethoxy-2-(pyridin-2-ylmethoxy)phenyl]methanamine
CID 43366673
2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyrimidine
CID 62699199
[3-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methanol
CID 43471608
[3-ethoxy-2-(2-pyridin-2-ylethoxy)phenyl]methanamine
CID 60891453
2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-5-ethylthiophene
CID 43366790
1-(chloromethyl)-3-ethoxy-2-(2-methylpropoxy)benzene
CID 43366782
1-[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 17212712
4-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-1-methylpyrazole
CID 62126746
(E)-3-[3-ethoxy-2-(pyridin-2-ylmethoxy)phenyl]prop-2-enoic acid
CID 16769586
4-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyridine-2-carbonitrile
CID 63880588
N-[[3-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43472080
2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]pyridine
CID 43516782

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyridine?
The IUPAC name of 2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyridine (CID 43366814) is 2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyridine.
What is the SMILES notation for 2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyridine?
The canonical SMILES for 2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyridine is CCOc1cccc(CCl)c1OCc1ccccn1.
What is the InChIKey of 2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyridine?
The InChIKey is MABDTKWZGZCWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-2-18-14-8-5-6-12(10-16)15(14)19-11-13-7-3-4-9-17-13/h3-9H,2,10-11H2,1H3.
What are the key properties of 2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyridine?
2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyridine has a molecular weight of 277.75 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyridine is sourced from PubChem (CID 43366814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).