3-chloro-5-(chloromethyl)-2-(3-methylsulfonylphenoxy)pyridine

C13H11Cl2NO3S — CID 61267710

IUPAC3-chloro-5-(chloromethyl)-2-(3-methylsulfonylphenoxy)pyridine
SMILESCS(=O)(=O)c1cccc(Oc2ncc(CCl)cc2Cl)c1
InChIInChI=1S/C13H11Cl2NO3S/c1-20(17,18)11-4-2-3-10(6-11)19-13-12(15)5-9(7-14)8-16-13/h2-6,8H,7H2,1H3
InChIKeyFKZXSROJFQZBJU-UHFFFAOYSA-N
MW332.21 g/mol
LogP3.67
Rot. Bonds4

About 3-chloro-5-(chloromethyl)-2-(3-methylsulfonylphenoxy)pyridine

3-chloro-5-(chloromethyl)-2-(3-methylsulfonylphenoxy)pyridine (PubChem CID 61267710) has the molecular formula C13H11Cl2NO3S and a molecular weight of 332.21 g/mol. Its IUPAC name is 3-chloro-5-(chloromethyl)-2-(3-methylsulfonylphenoxy)pyridine.

Molecular Properties

Compound Name3-chloro-5-(chloromethyl)-2-(3-methylsulfonylphenoxy)pyridine
PubChem CID61267710
Molecular FormulaC13H11Cl2NO3S
Molecular Weight332.21 g/mol
Exact Mass330.98
IUPAC Name3-chloro-5-(chloromethyl)-2-(3-methylsulfonylphenoxy)pyridine
SMILESCS(=O)(=O)c1cccc(Oc2ncc(CCl)cc2Cl)c1
InChIInChI=1S/C13H11Cl2NO3S/c1-20(17,18)11-4-2-3-10(6-11)19-13-12(15)5-9(7-14)8-16-13/h2-6,8H,7H2,1H3
InChIKeyFKZXSROJFQZBJU-UHFFFAOYSA-N
XLogP3.67
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-chloro-6-(3-methylsulfonylphenoxy)-3-pyridinyl]methanol
CID 61256942
3,5-dichloro-6-(3-methylsulfonylphenoxy)pyridin-2-amine
CID 102760799
3-chloro-6-(3-methylsulfonylphenoxy)pyridazine
CID 54915361
3-chloro-5-(chloromethyl)-2-(3,4-difluorophenoxy)pyridine
CID 61269746
4-chloro-6-(3-methylsulfonylphenoxy)-2-propan-2-ylpyrimidine
CID 80944929
3-chloro-2-(3-methylsulfonylphenoxy)pyridine-4-carboxylic acid
CID 107063434
3-(3-methylsulfonylphenoxy)pyrazine-2-carbonitrile
CID 60620396
5-amino-2-(3-methylsulfonylphenoxy)pyridine-3-carbonitrile
CID 60924024
[5-chloro-6-(3-chlorophenoxy)-3-pyridinyl]methanamine
CID 62321461
2-(2-tert-butylphenoxy)-3-chloro-5-(chloromethyl)pyridine
CID 63446144
2-chloro-6-(3-methylsulfonylphenoxy)benzaldehyde
CID 43807103
1-(fluoromethoxy)-3-methylsulfonylbenzene
CID 68604841

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(chloromethyl)-2-(3-methylsulfonylphenoxy)pyridine?
The IUPAC name of 3-chloro-5-(chloromethyl)-2-(3-methylsulfonylphenoxy)pyridine (CID 61267710) is 3-chloro-5-(chloromethyl)-2-(3-methylsulfonylphenoxy)pyridine.
What is the SMILES notation for 3-chloro-5-(chloromethyl)-2-(3-methylsulfonylphenoxy)pyridine?
The canonical SMILES for 3-chloro-5-(chloromethyl)-2-(3-methylsulfonylphenoxy)pyridine is CS(=O)(=O)c1cccc(Oc2ncc(CCl)cc2Cl)c1.
What is the InChIKey of 3-chloro-5-(chloromethyl)-2-(3-methylsulfonylphenoxy)pyridine?
The InChIKey is FKZXSROJFQZBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO3S/c1-20(17,18)11-4-2-3-10(6-11)19-13-12(15)5-9(7-14)8-16-13/h2-6,8H,7H2,1H3.
What are the key properties of 3-chloro-5-(chloromethyl)-2-(3-methylsulfonylphenoxy)pyridine?
3-chloro-5-(chloromethyl)-2-(3-methylsulfonylphenoxy)pyridine has a molecular weight of 332.21 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(chloromethyl)-2-(3-methylsulfonylphenoxy)pyridine is sourced from PubChem (CID 61267710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).