2-methoxy-4-(trifluoromethyl)pyridine

C7H6F3NO — CID 18539797

IUPAC2-methoxy-4-(trifluoromethyl)pyridine
SMILESCOc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C7H6F3NO/c1-12-6-4-5(2-3-11-6)7(8,9)10/h2-4H,1H3
InChIKeyBYGXVIBRFSQTPY-UHFFFAOYSA-N
MW177.12 g/mol
LogP2.11
Rot. Bonds1

About 2-methoxy-4-(trifluoromethyl)pyridine

2-methoxy-4-(trifluoromethyl)pyridine (PubChem CID 18539797) has the molecular formula C7H6F3NO and a molecular weight of 177.12 g/mol. Its IUPAC name is 2-methoxy-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-methoxy-4-(trifluoromethyl)pyridine
PubChem CID18539797
Molecular FormulaC7H6F3NO
Molecular Weight177.12 g/mol
Exact Mass177.04
IUPAC Name2-methoxy-4-(trifluoromethyl)pyridine
SMILESCOc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C7H6F3NO/c1-12-6-4-5(2-3-11-6)7(8,9)10/h2-4H,1H3
InChIKeyBYGXVIBRFSQTPY-UHFFFAOYSA-N
XLogP2.11
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.12
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-methoxy-4-(trifluoromethyl)pyridine (CID 18539797) is 2-methoxy-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-methoxy-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-methoxy-4-(trifluoromethyl)pyridine is COc1cc(C(F)(F)F)ccn1.
What is the InChIKey of 2-methoxy-4-(trifluoromethyl)pyridine?
The InChIKey is BYGXVIBRFSQTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO/c1-12-6-4-5(2-3-11-6)7(8,9)10/h2-4H,1H3.
What are the key properties of 2-methoxy-4-(trifluoromethyl)pyridine?
2-methoxy-4-(trifluoromethyl)pyridine has a molecular weight of 177.12 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 18539797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).