6-(4-chlorophenoxy)-3-cyclopropyl-2-(trifluoromethyl)pyridine

C15H11ClF3NO — CID 174975457

IUPAC6-(4-chlorophenoxy)-3-cyclopropyl-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1nc(Oc2ccc(Cl)cc2)ccc1C1CC1
InChIInChI=1S/C15H11ClF3NO/c16-10-3-5-11(6-4-10)21-13-8-7-12(9-1-2-9)14(20-13)15(17,18)19/h3-9H,1-2H2
InChIKeyFMFFYTUYBRHJKS-UHFFFAOYSA-N
MW313.71 g/mol
LogP5.42
Rot. Bonds3

About 6-(4-chlorophenoxy)-3-cyclopropyl-2-(trifluoromethyl)pyridine

6-(4-chlorophenoxy)-3-cyclopropyl-2-(trifluoromethyl)pyridine (PubChem CID 174975457) has the molecular formula C15H11ClF3NO and a molecular weight of 313.71 g/mol. Its IUPAC name is 6-(4-chlorophenoxy)-3-cyclopropyl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name6-(4-chlorophenoxy)-3-cyclopropyl-2-(trifluoromethyl)pyridine
PubChem CID174975457
Molecular FormulaC15H11ClF3NO
Molecular Weight313.71 g/mol
Exact Mass313.05
IUPAC Name6-(4-chlorophenoxy)-3-cyclopropyl-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1nc(Oc2ccc(Cl)cc2)ccc1C1CC1
InChIInChI=1S/C15H11ClF3NO/c16-10-3-5-11(6-4-10)21-13-8-7-12(9-1-2-9)14(20-13)15(17,18)19/h3-9H,1-2H2
InChIKeyFMFFYTUYBRHJKS-UHFFFAOYSA-N
XLogP5.42
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.71
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenoxy)-3-cyclopropyl-2-(trifluoromethyl)pyridine?
The IUPAC name of 6-(4-chlorophenoxy)-3-cyclopropyl-2-(trifluoromethyl)pyridine (CID 174975457) is 6-(4-chlorophenoxy)-3-cyclopropyl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 6-(4-chlorophenoxy)-3-cyclopropyl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 6-(4-chlorophenoxy)-3-cyclopropyl-2-(trifluoromethyl)pyridine is FC(F)(F)c1nc(Oc2ccc(Cl)cc2)ccc1C1CC1.
What is the InChIKey of 6-(4-chlorophenoxy)-3-cyclopropyl-2-(trifluoromethyl)pyridine?
The InChIKey is FMFFYTUYBRHJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO/c16-10-3-5-11(6-4-10)21-13-8-7-12(9-1-2-9)14(20-13)15(17,18)19/h3-9H,1-2H2.
What are the key properties of 6-(4-chlorophenoxy)-3-cyclopropyl-2-(trifluoromethyl)pyridine?
6-(4-chlorophenoxy)-3-cyclopropyl-2-(trifluoromethyl)pyridine has a molecular weight of 313.71 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenoxy)-3-cyclopropyl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 174975457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).