3-(chloromethyl)-2-methoxy-6-(trifluoromethyl)pyridine

C8H7ClF3NO — CID 59834819

IUPAC3-(chloromethyl)-2-methoxy-6-(trifluoromethyl)pyridine
SMILESCOc1nc(C(F)(F)F)ccc1CCl
InChIInChI=1S/C8H7ClF3NO/c1-14-7-5(4-9)2-3-6(13-7)8(10,11)12/h2-3H,4H2,1H3
InChIKeyKUBNMKJHVGZTRK-UHFFFAOYSA-N
MW225.60 g/mol
LogP2.85
Rot. Bonds2

About 3-(chloromethyl)-2-methoxy-6-(trifluoromethyl)pyridine

3-(chloromethyl)-2-methoxy-6-(trifluoromethyl)pyridine (PubChem CID 59834819) has the molecular formula C8H7ClF3NO and a molecular weight of 225.60 g/mol. Its IUPAC name is 3-(chloromethyl)-2-methoxy-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-methoxy-6-(trifluoromethyl)pyridine
PubChem CID59834819
Molecular FormulaC8H7ClF3NO
Molecular Weight225.60 g/mol
Exact Mass225.02
IUPAC Name3-(chloromethyl)-2-methoxy-6-(trifluoromethyl)pyridine
SMILESCOc1nc(C(F)(F)F)ccc1CCl
InChIInChI=1S/C8H7ClF3NO/c1-14-7-5(4-9)2-3-6(13-7)8(10,11)12/h2-3H,4H2,1H3
InChIKeyKUBNMKJHVGZTRK-UHFFFAOYSA-N
XLogP2.85
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.60
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-methoxy-6-(trifluoromethyl)pyridine?
The IUPAC name of 3-(chloromethyl)-2-methoxy-6-(trifluoromethyl)pyridine (CID 59834819) is 3-(chloromethyl)-2-methoxy-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(chloromethyl)-2-methoxy-6-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(chloromethyl)-2-methoxy-6-(trifluoromethyl)pyridine is COc1nc(C(F)(F)F)ccc1CCl.
What is the InChIKey of 3-(chloromethyl)-2-methoxy-6-(trifluoromethyl)pyridine?
The InChIKey is KUBNMKJHVGZTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO/c1-14-7-5(4-9)2-3-6(13-7)8(10,11)12/h2-3H,4H2,1H3.
What are the key properties of 3-(chloromethyl)-2-methoxy-6-(trifluoromethyl)pyridine?
3-(chloromethyl)-2-methoxy-6-(trifluoromethyl)pyridine has a molecular weight of 225.60 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-methoxy-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 59834819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).