3-chloro-2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine

C15H15Cl2NO2 — CID 61268786

IUPAC3-chloro-2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine
SMILESCCCOc1ccccc1Oc1ccc(Cl)c(CCl)n1
InChIInChI=1S/C15H15Cl2NO2/c1-2-9-19-13-5-3-4-6-14(13)20-15-8-7-11(17)12(10-16)18-15/h3-8H,2,9-10H2,1H3
InChIKeyGHOPRNBKSRBJLL-UHFFFAOYSA-N
MW312.20 g/mol
LogP5.05
Rot. Bonds6

About 3-chloro-2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine

3-chloro-2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine (PubChem CID 61268786) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is 3-chloro-2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine.

Molecular Properties

Compound Name3-chloro-2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine
PubChem CID61268786
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC Name3-chloro-2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine
SMILESCCCOc1ccccc1Oc1ccc(Cl)c(CCl)n1
InChIInChI=1S/C15H15Cl2NO2/c1-2-9-19-13-5-3-4-6-14(13)20-15-8-7-11(17)12(10-16)18-15/h3-8H,2,9-10H2,1H3
InChIKeyGHOPRNBKSRBJLL-UHFFFAOYSA-N
XLogP5.05
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.20
LogP ≤ 55.05
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

2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine
CID 62239879
3-chloro-2-(chloromethyl)-6-(2-fluorophenoxy)pyridine
CID 61267319
3-chloro-6-(2-propoxyphenoxy)pyridine-2-carboxylic acid
CID 29286211
1-(chloromethoxy)-2-propoxybenzene
CID 79530194
4-(chloromethyl)-2-(2-propoxyphenoxy)pyridine
CID 61268969
3-chloro-2-(chloromethyl)-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine
CID 106597658
1-(6-chlorohexoxy)-2-propoxybenzene
CID 63499119
[6-(2-propoxyphenoxy)pyrazin-2-yl]methanol
CID 66467765
3-chloro-2-(chloromethyl)-6-(3,4-dichlorophenoxy)pyridine
CID 63446768
6-(2-propoxyphenoxy)-2-propylpyrimidin-4-amine
CID 80942785
3-chloro-2-(chloromethyl)-6-(2-propan-2-yloxyethoxy)pyridine
CID 61268038
6-(2-tert-butyl-4-methylphenoxy)-3-chloro-2-(chloromethyl)pyridine
CID 63446405

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine?
The IUPAC name of 3-chloro-2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine (CID 61268786) is 3-chloro-2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine.
What is the SMILES notation for 3-chloro-2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine?
The canonical SMILES for 3-chloro-2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine is CCCOc1ccccc1Oc1ccc(Cl)c(CCl)n1.
What is the InChIKey of 3-chloro-2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine?
The InChIKey is GHOPRNBKSRBJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2/c1-2-9-19-13-5-3-4-6-14(13)20-15-8-7-11(17)12(10-16)18-15/h3-8H,2,9-10H2,1H3.
What are the key properties of 3-chloro-2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine?
3-chloro-2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine has a molecular weight of 312.20 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine is sourced from PubChem (CID 61268786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).