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

C8H7ClF3NO — CID 131168938

IUPAC6-(chloromethyl)-2-methoxy-3-(trifluoromethyl)pyridine
SMILESCOc1nc(CCl)ccc1C(F)(F)F
InChIInChI=1S/C8H7ClF3NO/c1-14-7-6(8(10,11)12)3-2-5(4-9)13-7/h2-3H,4H2,1H3
InChIKeyVFGDXNBWOLVSDC-UHFFFAOYSA-N
MW225.60 g/mol
LogP2.85
Rot. Bonds2

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

6-(chloromethyl)-2-methoxy-3-(trifluoromethyl)pyridine (PubChem CID 131168938) has the molecular formula C8H7ClF3NO and a molecular weight of 225.60 g/mol. Its IUPAC name is 6-(chloromethyl)-2-methoxy-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name6-(chloromethyl)-2-methoxy-3-(trifluoromethyl)pyridine
PubChem CID131168938
Molecular FormulaC8H7ClF3NO
Molecular Weight225.60 g/mol
Exact Mass225.02
IUPAC Name6-(chloromethyl)-2-methoxy-3-(trifluoromethyl)pyridine
SMILESCOc1nc(CCl)ccc1C(F)(F)F
InChIInChI=1S/C8H7ClF3NO/c1-14-7-6(8(10,11)12)3-2-5(4-9)13-7/h2-3H,4H2,1H3
InChIKeyVFGDXNBWOLVSDC-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 6-(chloromethyl)-2-methoxy-3-(trifluoromethyl)pyridine?
The IUPAC name of 6-(chloromethyl)-2-methoxy-3-(trifluoromethyl)pyridine (CID 131168938) is 6-(chloromethyl)-2-methoxy-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 6-(chloromethyl)-2-methoxy-3-(trifluoromethyl)pyridine?
The canonical SMILES for 6-(chloromethyl)-2-methoxy-3-(trifluoromethyl)pyridine is COc1nc(CCl)ccc1C(F)(F)F.
What is the InChIKey of 6-(chloromethyl)-2-methoxy-3-(trifluoromethyl)pyridine?
The InChIKey is VFGDXNBWOLVSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO/c1-14-7-6(8(10,11)12)3-2-5(4-9)13-7/h2-3H,4H2,1H3.
What are the key properties of 6-(chloromethyl)-2-methoxy-3-(trifluoromethyl)pyridine?
6-(chloromethyl)-2-methoxy-3-(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 6-(chloromethyl)-2-methoxy-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 131168938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).