2-chloro-6-(oxan-4-yloxymethyl)pyridine

C11H14ClNO2 — CID 79243769

IUPAC2-chloro-6-(oxan-4-yloxymethyl)pyridine
SMILESClc1cccc(COC2CCOCC2)n1
InChIInChI=1S/C11H14ClNO2/c12-11-3-1-2-9(13-11)8-15-10-4-6-14-7-5-10/h1-3,10H,4-8H2
InChIKeyCNGHFCIJMYKZAE-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.43
Rot. Bonds3

About 2-chloro-6-(oxan-4-yloxymethyl)pyridine

2-chloro-6-(oxan-4-yloxymethyl)pyridine (PubChem CID 79243769) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-chloro-6-(oxan-4-yloxymethyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(oxan-4-yloxymethyl)pyridine
PubChem CID79243769
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-chloro-6-(oxan-4-yloxymethyl)pyridine
SMILESClc1cccc(COC2CCOCC2)n1
InChIInChI=1S/C11H14ClNO2/c12-11-3-1-2-9(13-11)8-15-10-4-6-14-7-5-10/h1-3,10H,4-8H2
InChIKeyCNGHFCIJMYKZAE-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
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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Related Compounds

6-(oxan-4-yloxymethyl)pyridine-2-carboxylic acid
CID 106903338
2-chloro-6-[(3,4-dimethylcyclohexyl)oxymethyl]pyridine
CID 79242882
N-[[6-(oxan-4-yloxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907547
2-bromo-6-[[(3R)-oxolan-3-yl]oxymethyl]pyridine
CID 154377158
6-(oxolan-3-yloxymethyl)pyridine-2-carbonitrile
CID 66718550
2-chloro-6-(oxolan-2-ylmethoxymethyl)pyridine
CID 79240930
4-phenylmethoxyoxane
CID 66554133
2-methyl-N-[[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]propan-2-amine
CID 106908333
[6-(cyclopentyloxymethyl)-2-pyridinyl]methanamine
CID 106907587
2-chloro-6-(methoxymethyl)pyridine
CID 78967102
N-[6-(oxolan-3-yloxymethyl)-2-pyridinyl]acetamide
CID 154658060
6-chloro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 53410289

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(oxan-4-yloxymethyl)pyridine?
The IUPAC name of 2-chloro-6-(oxan-4-yloxymethyl)pyridine (CID 79243769) is 2-chloro-6-(oxan-4-yloxymethyl)pyridine.
What is the SMILES notation for 2-chloro-6-(oxan-4-yloxymethyl)pyridine?
The canonical SMILES for 2-chloro-6-(oxan-4-yloxymethyl)pyridine is Clc1cccc(COC2CCOCC2)n1.
What is the InChIKey of 2-chloro-6-(oxan-4-yloxymethyl)pyridine?
The InChIKey is CNGHFCIJMYKZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c12-11-3-1-2-9(13-11)8-15-10-4-6-14-7-5-10/h1-3,10H,4-8H2.
What are the key properties of 2-chloro-6-(oxan-4-yloxymethyl)pyridine?
2-chloro-6-(oxan-4-yloxymethyl)pyridine has a molecular weight of 227.69 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(oxan-4-yloxymethyl)pyridine is sourced from PubChem (CID 79243769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).