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

C11H14ClNO2 — CID 86090104

IUPAC2-chloro-4-(oxan-2-yloxymethyl)pyridine
SMILESClc1cc(COC2CCCCO2)ccn1
InChIInChI=1S/C11H14ClNO2/c12-10-7-9(4-5-13-10)8-15-11-3-1-2-6-14-11/h4-5,7,11H,1-3,6,8H2
InChIKeySQCDDNWLKYZALO-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.78
Rot. Bonds3

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

2-chloro-4-(oxan-2-yloxymethyl)pyridine (PubChem CID 86090104) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-chloro-4-(oxan-2-yloxymethyl)pyridine.

Molecular Properties

Compound Name2-chloro-4-(oxan-2-yloxymethyl)pyridine
PubChem CID86090104
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-chloro-4-(oxan-2-yloxymethyl)pyridine
SMILESClc1cc(COC2CCCCO2)ccn1
InChIInChI=1S/C11H14ClNO2/c12-10-7-9(4-5-13-10)8-15-11-3-1-2-6-14-11/h4-5,7,11H,1-3,6,8H2
InChIKeySQCDDNWLKYZALO-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
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

3-chloro-2-(oxan-2-yloxymethyl)pyridine
CID 168944061
2-[(3-fluorophenyl)methoxy]oxane
CID 22446153
2-(oxan-2-yloxymethyl)pyrimidine
CID 154401140
2-[(4-chlorophenyl)methoxy]oxolane
CID 102105550
2-[(4-methoxy-3-methylphenyl)methoxy]oxane
CID 66596594
2-bromo-5-(oxan-2-yloxymethyl)pyridine
CID 18469682
(2S)-2-[(4-bromophenyl)methoxy]oxane
CID 68903974
2-[4-(oxan-2-yloxymethyl)phenoxy]oxane
CID 101362561
1,3-bis[3-(oxan-2-yloxymethyl)phenyl]propan-2-one
CID 146792534
2-[(3,5-dimethoxyphenyl)methoxy]oxane
CID 173090369
[4-(oxan-2-yloxymethyl)phenyl]-diphenylphosphane
CID 71336769
2-[[3-(bromomethyl)-4-fluorophenyl]methoxy]oxane
CID 67128227

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(oxan-2-yloxymethyl)pyridine?
The IUPAC name of 2-chloro-4-(oxan-2-yloxymethyl)pyridine (CID 86090104) is 2-chloro-4-(oxan-2-yloxymethyl)pyridine.
What is the SMILES notation for 2-chloro-4-(oxan-2-yloxymethyl)pyridine?
The canonical SMILES for 2-chloro-4-(oxan-2-yloxymethyl)pyridine is Clc1cc(COC2CCCCO2)ccn1.
What is the InChIKey of 2-chloro-4-(oxan-2-yloxymethyl)pyridine?
The InChIKey is SQCDDNWLKYZALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c12-10-7-9(4-5-13-10)8-15-11-3-1-2-6-14-11/h4-5,7,11H,1-3,6,8H2.
What are the key properties of 2-chloro-4-(oxan-2-yloxymethyl)pyridine?
2-chloro-4-(oxan-2-yloxymethyl)pyridine has a molecular weight of 227.69 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(oxan-2-yloxymethyl)pyridine is sourced from PubChem (CID 86090104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).