3-chloro-2-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridine

C13H12Cl2N2O — CID 61269894

IUPAC3-chloro-2-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridine
SMILESClCc1nc(OCCc2ccccn2)ccc1Cl
InChIInChI=1S/C13H12Cl2N2O/c14-9-12-11(15)4-5-13(17-12)18-8-6-10-3-1-2-7-16-10/h1-5,7H,6,8-9H2
InChIKeyKDUSENSOVQGPPV-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.49
Rot. Bonds5

About 3-chloro-2-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridine

3-chloro-2-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridine (PubChem CID 61269894) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is 3-chloro-2-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridine.

Molecular Properties

Compound Name3-chloro-2-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridine
PubChem CID61269894
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name3-chloro-2-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridine
SMILESClCc1nc(OCCc2ccccn2)ccc1Cl
InChIInChI=1S/C13H12Cl2N2O/c14-9-12-11(15)4-5-13(17-12)18-8-6-10-3-1-2-7-16-10/h1-5,7H,6,8-9H2
InChIKeyKDUSENSOVQGPPV-UHFFFAOYSA-N
XLogP3.49
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridazine
CID 61269892
4-(2-pyridin-2-ylethoxy)pyrimidin-2-amine
CID 80864949
3-chloro-2-(chloromethyl)-6-(2-propan-2-yloxyethoxy)pyridine
CID 61268038
2-[2-[2-bromo-4-(chloromethyl)phenoxy]ethyl]pyridine
CID 55148109
3-chloro-2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine
CID 61268786
2-[(2-methylpropan-2-yl)oxy]-6-(2-pyridin-2-ylethoxy)pyridin-3-amine
CID 43262540
6-(2-pyridin-2-ylethoxy)pyrazin-2-amine
CID 80646671
2-[2-[3-(chloromethyl)phenoxy]ethyl]pyridine
CID 60892629
2-[2-(2-fluorophenoxy)ethyl]pyridine
CID 64765449
2-[2-[2-(bromomethyl)-4,6-dichlorophenoxy]ethyl]pyridine
CID 60891469
1-[3-chloro-4-(2-pyridin-2-ylethoxy)phenyl]-N-methylethanamine
CID 62911734
2-pyridin-2-ylethyl cyanate
CID 21195134

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridine?
The IUPAC name of 3-chloro-2-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridine (CID 61269894) is 3-chloro-2-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridine.
What is the SMILES notation for 3-chloro-2-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridine?
The canonical SMILES for 3-chloro-2-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridine is ClCc1nc(OCCc2ccccn2)ccc1Cl.
What is the InChIKey of 3-chloro-2-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridine?
The InChIKey is KDUSENSOVQGPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c14-9-12-11(15)4-5-13(17-12)18-8-6-10-3-1-2-7-16-10/h1-5,7H,6,8-9H2.
What are the key properties of 3-chloro-2-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridine?
3-chloro-2-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridine has a molecular weight of 283.16 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridine is sourced from PubChem (CID 61269894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).