5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)pyridine

C14H12F3NO — CID 59391394

IUPAC5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)pyridine
SMILESCc1ccc(OCc2ccc(C(F)(F)F)nc2)cc1
InChIInChI=1S/C14H12F3NO/c1-10-2-5-12(6-3-10)19-9-11-4-7-13(18-8-11)14(15,16)17/h2-8H,9H2,1H3
InChIKeyUORDTMKHIKERHO-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.99
Rot. Bonds3

About 5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)pyridine

5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)pyridine (PubChem CID 59391394) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)pyridine
PubChem CID59391394
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)pyridine
SMILESCc1ccc(OCc2ccc(C(F)(F)F)nc2)cc1
InChIInChI=1S/C14H12F3NO/c1-10-2-5-12(6-3-10)19-9-11-4-7-13(18-8-11)14(15,16)17/h2-8H,9H2,1H3
InChIKeyUORDTMKHIKERHO-UHFFFAOYSA-N
XLogP3.99
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)pyridine (CID 59391394) is 5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)pyridine is Cc1ccc(OCc2ccc(C(F)(F)F)nc2)cc1.
What is the InChIKey of 5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)pyridine?
The InChIKey is UORDTMKHIKERHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c1-10-2-5-12(6-3-10)19-9-11-4-7-13(18-8-11)14(15,16)17/h2-8H,9H2,1H3.
What are the key properties of 5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)pyridine?
5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)pyridine has a molecular weight of 267.25 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 59391394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).