3-chloro-5-(chloromethyl)-2-(oxan-2-ylmethoxy)pyridine

C12H15Cl2NO2 — CID 61258069

IUPAC3-chloro-5-(chloromethyl)-2-(oxan-2-ylmethoxy)pyridine
SMILESClCc1cnc(OCC2CCCCO2)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO2/c13-6-9-5-11(14)12(15-7-9)17-8-10-3-1-2-4-16-10/h5,7,10H,1-4,6,8H2
InChIKeyMXKYBRXYIBZEAM-UHFFFAOYSA-N
MW276.16 g/mol
LogP3.42
Rot. Bonds4

About 3-chloro-5-(chloromethyl)-2-(oxan-2-ylmethoxy)pyridine

3-chloro-5-(chloromethyl)-2-(oxan-2-ylmethoxy)pyridine (PubChem CID 61258069) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is 3-chloro-5-(chloromethyl)-2-(oxan-2-ylmethoxy)pyridine.

Molecular Properties

Compound Name3-chloro-5-(chloromethyl)-2-(oxan-2-ylmethoxy)pyridine
PubChem CID61258069
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Name3-chloro-5-(chloromethyl)-2-(oxan-2-ylmethoxy)pyridine
SMILESClCc1cnc(OCC2CCCCO2)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO2/c13-6-9-5-11(14)12(15-7-9)17-8-10-3-1-2-4-16-10/h5,7,10H,1-4,6,8H2
InChIKeyMXKYBRXYIBZEAM-UHFFFAOYSA-N
XLogP3.42
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 53.42
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

5-chloro-3-fluoro-2-(oxolan-2-ylmethoxy)pyridine
CID 79728314
3-bromo-5-chloro-2-(oxolan-2-ylmethoxy)pyridine
CID 114837569
2-chloro-5-fluoro-4-(oxan-2-ylmethoxy)pyrimidine
CID 79081513
4-chloro-5-methyl-6-(oxan-2-ylmethoxy)pyrimidine
CID 63736573
3-chloro-6-(oxan-2-ylmethoxy)pyridazine
CID 24688626
4-chloro-2-(oxan-2-ylmethoxy)-1,3-thiazole
CID 83152491
3-chloro-4,5-dimethyl-6-(oxan-2-ylmethoxy)pyridazine
CID 63271994
3-chloro-5-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 61435099
4-(chloromethyl)-3-fluoro-2-(oxolan-2-ylmethoxy)pyridine
CID 105383749
2-[(2,4,5-trichlorophenoxy)methyl]oxolane
CID 112779327
2-chloro-4-(oxan-2-ylmethoxy)thieno[2,3-d]pyrimidine
CID 103319749
2-[[2-bromo-4-(chloromethyl)-6-methoxyphenoxy]methyl]oxane
CID 43622743

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(chloromethyl)-2-(oxan-2-ylmethoxy)pyridine?
The IUPAC name of 3-chloro-5-(chloromethyl)-2-(oxan-2-ylmethoxy)pyridine (CID 61258069) is 3-chloro-5-(chloromethyl)-2-(oxan-2-ylmethoxy)pyridine.
What is the SMILES notation for 3-chloro-5-(chloromethyl)-2-(oxan-2-ylmethoxy)pyridine?
The canonical SMILES for 3-chloro-5-(chloromethyl)-2-(oxan-2-ylmethoxy)pyridine is ClCc1cnc(OCC2CCCCO2)c(Cl)c1.
What is the InChIKey of 3-chloro-5-(chloromethyl)-2-(oxan-2-ylmethoxy)pyridine?
The InChIKey is MXKYBRXYIBZEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c13-6-9-5-11(14)12(15-7-9)17-8-10-3-1-2-4-16-10/h5,7,10H,1-4,6,8H2.
What are the key properties of 3-chloro-5-(chloromethyl)-2-(oxan-2-ylmethoxy)pyridine?
3-chloro-5-(chloromethyl)-2-(oxan-2-ylmethoxy)pyridine has a molecular weight of 276.16 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(chloromethyl)-2-(oxan-2-ylmethoxy)pyridine is sourced from PubChem (CID 61258069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).