2,4-dichloro-5-(oxolan-3-yloxymethyl)pyridine

C10H11Cl2NO2 — CID 116519481

IUPAC2,4-dichloro-5-(oxolan-3-yloxymethyl)pyridine
SMILESClc1cc(Cl)c(COC2CCOC2)cn1
InChIInChI=1S/C10H11Cl2NO2/c11-9-3-10(12)13-4-7(9)5-15-8-1-2-14-6-8/h3-4,8H,1-2,5-6H2
InChIKeyRXSZDEIQKSTHSY-UHFFFAOYSA-N
MW248.11 g/mol
LogP2.69
Rot. Bonds3

About 2,4-dichloro-5-(oxolan-3-yloxymethyl)pyridine

2,4-dichloro-5-(oxolan-3-yloxymethyl)pyridine (PubChem CID 116519481) has the molecular formula C10H11Cl2NO2 and a molecular weight of 248.11 g/mol. Its IUPAC name is 2,4-dichloro-5-(oxolan-3-yloxymethyl)pyridine.

Molecular Properties

Compound Name2,4-dichloro-5-(oxolan-3-yloxymethyl)pyridine
PubChem CID116519481
Molecular FormulaC10H11Cl2NO2
Molecular Weight248.11 g/mol
Exact Mass247.02
IUPAC Name2,4-dichloro-5-(oxolan-3-yloxymethyl)pyridine
SMILESClc1cc(Cl)c(COC2CCOC2)cn1
InChIInChI=1S/C10H11Cl2NO2/c11-9-3-10(12)13-4-7(9)5-15-8-1-2-14-6-8/h3-4,8H,1-2,5-6H2
InChIKeyRXSZDEIQKSTHSY-UHFFFAOYSA-N
XLogP2.69
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(oxolan-3-yloxymethyl)pyridine?
The IUPAC name of 2,4-dichloro-5-(oxolan-3-yloxymethyl)pyridine (CID 116519481) is 2,4-dichloro-5-(oxolan-3-yloxymethyl)pyridine.
What is the SMILES notation for 2,4-dichloro-5-(oxolan-3-yloxymethyl)pyridine?
The canonical SMILES for 2,4-dichloro-5-(oxolan-3-yloxymethyl)pyridine is Clc1cc(Cl)c(COC2CCOC2)cn1.
What is the InChIKey of 2,4-dichloro-5-(oxolan-3-yloxymethyl)pyridine?
The InChIKey is RXSZDEIQKSTHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO2/c11-9-3-10(12)13-4-7(9)5-15-8-1-2-14-6-8/h3-4,8H,1-2,5-6H2.
What are the key properties of 2,4-dichloro-5-(oxolan-3-yloxymethyl)pyridine?
2,4-dichloro-5-(oxolan-3-yloxymethyl)pyridine has a molecular weight of 248.11 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(oxolan-3-yloxymethyl)pyridine is sourced from PubChem (CID 116519481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).