2-[2-[3-(chloromethyl)phenoxy]ethyl]pyridine

C14H14ClNO — CID 60892629

IUPAC2-[2-[3-(chloromethyl)phenoxy]ethyl]pyridine
SMILESClCc1cccc(OCCc2ccccn2)c1
InChIInChI=1S/C14H14ClNO/c15-11-12-4-3-6-14(10-12)17-9-7-13-5-1-2-8-16-13/h1-6,8,10H,7,9,11H2
InChIKeyGCLLUKYXODOKEM-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.44
Rot. Bonds5

About 2-[2-[3-(chloromethyl)phenoxy]ethyl]pyridine

2-[2-[3-(chloromethyl)phenoxy]ethyl]pyridine (PubChem CID 60892629) has the molecular formula C14H14ClNO and a molecular weight of 247.73 g/mol. Its IUPAC name is 2-[2-[3-(chloromethyl)phenoxy]ethyl]pyridine.

Molecular Properties

Compound Name2-[2-[3-(chloromethyl)phenoxy]ethyl]pyridine
PubChem CID60892629
Molecular FormulaC14H14ClNO
Molecular Weight247.73 g/mol
Exact Mass247.08
IUPAC Name2-[2-[3-(chloromethyl)phenoxy]ethyl]pyridine
SMILESClCc1cccc(OCCc2ccccn2)c1
InChIInChI=1S/C14H14ClNO/c15-11-12-4-3-6-14(10-12)17-9-7-13-5-1-2-8-16-13/h1-6,8,10H,7,9,11H2
InChIKeyGCLLUKYXODOKEM-UHFFFAOYSA-N
XLogP3.44
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-(chloromethyl)phenoxy]methyl]pyridine
CID 28534890
2-[2-[2-bromo-4-(chloromethyl)phenoxy]ethyl]pyridine
CID 55148109
2-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine
CID 60891470
(1R)-1-[3-(2-pyridin-2-ylethoxy)phenyl]ethanol
CID 78934011
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
4-(2-pyridin-2-ylethoxy)phenol
CID 60892821
1-bromo-3-[2-[3-(chloromethyl)phenoxy]ethoxy]benzene
CID 55224568
5-bromo-3-(chloromethyl)-2-(2-pyridin-2-ylethoxy)pyridine
CID 62001343
2-pyridin-2-ylethyl cyanate
CID 21195134
1-(chloromethyl)-3-(3-methylbutoxy)benzene
CID 28530201
3-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridazine
CID 61269892
2-pyridin-2-ylethyl 3-(3-aminophenoxy)propanoate
CID 61315045

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(chloromethyl)phenoxy]ethyl]pyridine?
The IUPAC name of 2-[2-[3-(chloromethyl)phenoxy]ethyl]pyridine (CID 60892629) is 2-[2-[3-(chloromethyl)phenoxy]ethyl]pyridine.
What is the SMILES notation for 2-[2-[3-(chloromethyl)phenoxy]ethyl]pyridine?
The canonical SMILES for 2-[2-[3-(chloromethyl)phenoxy]ethyl]pyridine is ClCc1cccc(OCCc2ccccn2)c1.
What is the InChIKey of 2-[2-[3-(chloromethyl)phenoxy]ethyl]pyridine?
The InChIKey is GCLLUKYXODOKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c15-11-12-4-3-6-14(10-12)17-9-7-13-5-1-2-8-16-13/h1-6,8,10H,7,9,11H2.
What are the key properties of 2-[2-[3-(chloromethyl)phenoxy]ethyl]pyridine?
2-[2-[3-(chloromethyl)phenoxy]ethyl]pyridine has a molecular weight of 247.73 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(chloromethyl)phenoxy]ethyl]pyridine is sourced from PubChem (CID 60892629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).