5-(chloromethyl)-2-(oxolan-3-yloxy)pyridine

C10H12ClNO2 — CID 63557481

IUPAC5-(chloromethyl)-2-(oxolan-3-yloxy)pyridine
SMILESClCc1ccc(OC2CCOC2)nc1
InChIInChI=1S/C10H12ClNO2/c11-5-8-1-2-10(12-6-8)14-9-3-4-13-7-9/h1-2,6,9H,3-5,7H2
InChIKeyFKWNYSSXFJJMRW-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.99
Rot. Bonds3

About 5-(chloromethyl)-2-(oxolan-3-yloxy)pyridine

5-(chloromethyl)-2-(oxolan-3-yloxy)pyridine (PubChem CID 63557481) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(oxolan-3-yloxy)pyridine.

Molecular Properties

Compound Name5-(chloromethyl)-2-(oxolan-3-yloxy)pyridine
PubChem CID63557481
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name5-(chloromethyl)-2-(oxolan-3-yloxy)pyridine
SMILESClCc1ccc(OC2CCOC2)nc1
InChIInChI=1S/C10H12ClNO2/c11-5-8-1-2-10(12-6-8)14-9-3-4-13-7-9/h1-2,6,9H,3-5,7H2
InChIKeyFKWNYSSXFJJMRW-UHFFFAOYSA-N
XLogP1.99
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-(oxolan-3-yloxy)pyridine?
The IUPAC name of 5-(chloromethyl)-2-(oxolan-3-yloxy)pyridine (CID 63557481) is 5-(chloromethyl)-2-(oxolan-3-yloxy)pyridine.
What is the SMILES notation for 5-(chloromethyl)-2-(oxolan-3-yloxy)pyridine?
The canonical SMILES for 5-(chloromethyl)-2-(oxolan-3-yloxy)pyridine is ClCc1ccc(OC2CCOC2)nc1.
What is the InChIKey of 5-(chloromethyl)-2-(oxolan-3-yloxy)pyridine?
The InChIKey is FKWNYSSXFJJMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c11-5-8-1-2-10(12-6-8)14-9-3-4-13-7-9/h1-2,6,9H,3-5,7H2.
What are the key properties of 5-(chloromethyl)-2-(oxolan-3-yloxy)pyridine?
5-(chloromethyl)-2-(oxolan-3-yloxy)pyridine has a molecular weight of 213.66 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(oxolan-3-yloxy)pyridine is sourced from PubChem (CID 63557481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).