4-(chloromethyl)-3-(oxan-4-yloxy)pyridine

C11H14ClNO2 — CID 105067700

IUPAC4-(chloromethyl)-3-(oxan-4-yloxy)pyridine
SMILESClCc1ccncc1OC1CCOCC1
InChIInChI=1S/C11H14ClNO2/c12-7-9-1-4-13-8-11(9)15-10-2-5-14-6-3-10/h1,4,8,10H,2-3,5-7H2
InChIKeyRNVMLFAMRNDWKV-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.38
Rot. Bonds3

About 4-(chloromethyl)-3-(oxan-4-yloxy)pyridine

4-(chloromethyl)-3-(oxan-4-yloxy)pyridine (PubChem CID 105067700) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 4-(chloromethyl)-3-(oxan-4-yloxy)pyridine.

Molecular Properties

Compound Name4-(chloromethyl)-3-(oxan-4-yloxy)pyridine
PubChem CID105067700
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name4-(chloromethyl)-3-(oxan-4-yloxy)pyridine
SMILESClCc1ccncc1OC1CCOCC1
InChIInChI=1S/C11H14ClNO2/c12-7-9-1-4-13-8-11(9)15-10-2-5-14-6-3-10/h1,4,8,10H,2-3,5-7H2
InChIKeyRNVMLFAMRNDWKV-UHFFFAOYSA-N
XLogP2.38
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.38
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 4-(chloromethyl)-3-(oxan-4-yloxy)pyridine?
The IUPAC name of 4-(chloromethyl)-3-(oxan-4-yloxy)pyridine (CID 105067700) is 4-(chloromethyl)-3-(oxan-4-yloxy)pyridine.
What is the SMILES notation for 4-(chloromethyl)-3-(oxan-4-yloxy)pyridine?
The canonical SMILES for 4-(chloromethyl)-3-(oxan-4-yloxy)pyridine is ClCc1ccncc1OC1CCOCC1.
What is the InChIKey of 4-(chloromethyl)-3-(oxan-4-yloxy)pyridine?
The InChIKey is RNVMLFAMRNDWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c12-7-9-1-4-13-8-11(9)15-10-2-5-14-6-3-10/h1,4,8,10H,2-3,5-7H2.
What are the key properties of 4-(chloromethyl)-3-(oxan-4-yloxy)pyridine?
4-(chloromethyl)-3-(oxan-4-yloxy)pyridine has a molecular weight of 227.69 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-3-(oxan-4-yloxy)pyridine is sourced from PubChem (CID 105067700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).