2-chloro-6-(oxolan-2-ylmethoxy)-4-(trichloromethyl)pyridine

C11H11Cl4NO2 — CID 21330006

IUPAC2-chloro-6-(oxolan-2-ylmethoxy)-4-(trichloromethyl)pyridine
SMILESClc1cc(C(Cl)(Cl)Cl)cc(OCC2CCCO2)n1
InChIInChI=1S/C11H11Cl4NO2/c12-9-4-7(11(13,14)15)5-10(16-9)18-6-8-2-1-3-17-8/h4-5,8H,1-3,6H2
InChIKeyONVHDKXNRLUPFU-UHFFFAOYSA-N
MW331.03 g/mol
LogP4.12
Rot. Bonds3

About 2-chloro-6-(oxolan-2-ylmethoxy)-4-(trichloromethyl)pyridine

2-chloro-6-(oxolan-2-ylmethoxy)-4-(trichloromethyl)pyridine (PubChem CID 21330006) has the molecular formula C11H11Cl4NO2 and a molecular weight of 331.03 g/mol. Its IUPAC name is 2-chloro-6-(oxolan-2-ylmethoxy)-4-(trichloromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(oxolan-2-ylmethoxy)-4-(trichloromethyl)pyridine
PubChem CID21330006
Molecular FormulaC11H11Cl4NO2
Molecular Weight331.03 g/mol
Exact Mass328.95
IUPAC Name2-chloro-6-(oxolan-2-ylmethoxy)-4-(trichloromethyl)pyridine
SMILESClc1cc(C(Cl)(Cl)Cl)cc(OCC2CCCO2)n1
InChIInChI=1S/C11H11Cl4NO2/c12-9-4-7(11(13,14)15)5-10(16-9)18-6-8-2-1-3-17-8/h4-5,8H,1-3,6H2
InChIKeyONVHDKXNRLUPFU-UHFFFAOYSA-N
XLogP4.12
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.03
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-methylsulfanyl-6-(oxolan-2-ylmethoxy)pyrimidine
CID 80544680
N-methyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102719727
2-(chloromethyl)-6-(oxolan-2-ylmethoxy)pyrazine
CID 66467570
3-chloro-6-(oxan-2-ylmethoxy)pyridazine
CID 24688626
oxolan-2-ylmethyl 2,6-dichloropyridine-4-carboxylate
CID 63841492
2-[(2,4,5-trichlorophenoxy)methyl]oxolane
CID 112779327
4-N-methyl-6-(oxolan-2-ylmethoxy)pyrimidine-2,4-diamine
CID 80859711
3-chloro-5-(chloromethyl)-2-(oxan-2-ylmethoxy)pyridine
CID 61258069
6-(oxolan-2-ylmethoxy)-2-propylpyrimidin-4-amine
CID 80950568
6-(oxan-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773775
N-methyl-6-(oxolan-2-ylmethoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80965962
4-chloro-2-(oxan-2-ylmethoxy)-1,3-thiazole
CID 83152491

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(oxolan-2-ylmethoxy)-4-(trichloromethyl)pyridine?
The IUPAC name of 2-chloro-6-(oxolan-2-ylmethoxy)-4-(trichloromethyl)pyridine (CID 21330006) is 2-chloro-6-(oxolan-2-ylmethoxy)-4-(trichloromethyl)pyridine.
What is the SMILES notation for 2-chloro-6-(oxolan-2-ylmethoxy)-4-(trichloromethyl)pyridine?
The canonical SMILES for 2-chloro-6-(oxolan-2-ylmethoxy)-4-(trichloromethyl)pyridine is Clc1cc(C(Cl)(Cl)Cl)cc(OCC2CCCO2)n1.
What is the InChIKey of 2-chloro-6-(oxolan-2-ylmethoxy)-4-(trichloromethyl)pyridine?
The InChIKey is ONVHDKXNRLUPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl4NO2/c12-9-4-7(11(13,14)15)5-10(16-9)18-6-8-2-1-3-17-8/h4-5,8H,1-3,6H2.
What are the key properties of 2-chloro-6-(oxolan-2-ylmethoxy)-4-(trichloromethyl)pyridine?
2-chloro-6-(oxolan-2-ylmethoxy)-4-(trichloromethyl)pyridine has a molecular weight of 331.03 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(oxolan-2-ylmethoxy)-4-(trichloromethyl)pyridine is sourced from PubChem (CID 21330006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).