3-[2-[2-(2,4-dichlorophenoxy)propyl]oxiran-2-yl]pyridine

C16H15Cl2NO2 — CID 19817032

IUPAC3-[2-[2-(2,4-dichlorophenoxy)propyl]oxiran-2-yl]pyridine
SMILESCC(CC1(c2cccnc2)CO1)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2NO2/c1-11(21-15-5-4-13(17)7-14(15)18)8-16(10-20-16)12-3-2-6-19-9-12/h2-7,9,11H,8,10H2,1H3
InChIKeyAGFCYPMBXWSKHH-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.47
Rot. Bonds5

About 3-[2-[2-(2,4-dichlorophenoxy)propyl]oxiran-2-yl]pyridine

3-[2-[2-(2,4-dichlorophenoxy)propyl]oxiran-2-yl]pyridine (PubChem CID 19817032) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is 3-[2-[2-(2,4-dichlorophenoxy)propyl]oxiran-2-yl]pyridine.

Molecular Properties

Compound Name3-[2-[2-(2,4-dichlorophenoxy)propyl]oxiran-2-yl]pyridine
PubChem CID19817032
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC Name3-[2-[2-(2,4-dichlorophenoxy)propyl]oxiran-2-yl]pyridine
SMILESCC(CC1(c2cccnc2)CO1)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2NO2/c1-11(21-15-5-4-13(17)7-14(15)18)8-16(10-20-16)12-3-2-6-19-9-12/h2-7,9,11H,8,10H2,1H3
InChIKeyAGFCYPMBXWSKHH-UHFFFAOYSA-N
XLogP4.47
TPSA34.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2,4-dichlorophenoxy)propyl]oxiran-2-yl]pyridine?
The IUPAC name of 3-[2-[2-(2,4-dichlorophenoxy)propyl]oxiran-2-yl]pyridine (CID 19817032) is 3-[2-[2-(2,4-dichlorophenoxy)propyl]oxiran-2-yl]pyridine.
What is the SMILES notation for 3-[2-[2-(2,4-dichlorophenoxy)propyl]oxiran-2-yl]pyridine?
The canonical SMILES for 3-[2-[2-(2,4-dichlorophenoxy)propyl]oxiran-2-yl]pyridine is CC(CC1(c2cccnc2)CO1)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[2-[2-(2,4-dichlorophenoxy)propyl]oxiran-2-yl]pyridine?
The InChIKey is AGFCYPMBXWSKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c1-11(21-15-5-4-13(17)7-14(15)18)8-16(10-20-16)12-3-2-6-19-9-12/h2-7,9,11H,8,10H2,1H3.
What are the key properties of 3-[2-[2-(2,4-dichlorophenoxy)propyl]oxiran-2-yl]pyridine?
3-[2-[2-(2,4-dichlorophenoxy)propyl]oxiran-2-yl]pyridine has a molecular weight of 324.21 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2,4-dichlorophenoxy)propyl]oxiran-2-yl]pyridine is sourced from PubChem (CID 19817032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).