6-ethyl-2-(3-fluorophenoxy)-4-(trifluoromethyl)pyridine-3-carbonitrile

C15H10F4N2O — CID 147053435

IUPAC6-ethyl-2-(3-fluorophenoxy)-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCc1cc(C(F)(F)F)c(C#N)c(Oc2cccc(F)c2)n1
InChIInChI=1S/C15H10F4N2O/c1-2-10-7-13(15(17,18)19)12(8-20)14(21-10)22-11-5-3-4-9(16)6-11/h3-7H,2H2,1H3
InChIKeyBBTQAFFWDLWMIS-UHFFFAOYSA-N
MW310.25 g/mol
LogP4.47
Rot. Bonds3

About 6-ethyl-2-(3-fluorophenoxy)-4-(trifluoromethyl)pyridine-3-carbonitrile

6-ethyl-2-(3-fluorophenoxy)-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 147053435) has the molecular formula C15H10F4N2O and a molecular weight of 310.25 g/mol. Its IUPAC name is 6-ethyl-2-(3-fluorophenoxy)-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-ethyl-2-(3-fluorophenoxy)-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID147053435
Molecular FormulaC15H10F4N2O
Molecular Weight310.25 g/mol
Exact Mass310.07
IUPAC Name6-ethyl-2-(3-fluorophenoxy)-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCc1cc(C(F)(F)F)c(C#N)c(Oc2cccc(F)c2)n1
InChIInChI=1S/C15H10F4N2O/c1-2-10-7-13(15(17,18)19)12(8-20)14(21-10)22-11-5-3-4-9(16)6-11/h3-7H,2H2,1H3
InChIKeyBBTQAFFWDLWMIS-UHFFFAOYSA-N
XLogP4.47
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.25
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(3-fluorophenoxy)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-ethyl-2-(3-fluorophenoxy)-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 147053435) is 6-ethyl-2-(3-fluorophenoxy)-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-ethyl-2-(3-fluorophenoxy)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-ethyl-2-(3-fluorophenoxy)-4-(trifluoromethyl)pyridine-3-carbonitrile is CCc1cc(C(F)(F)F)c(C#N)c(Oc2cccc(F)c2)n1.
What is the InChIKey of 6-ethyl-2-(3-fluorophenoxy)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is BBTQAFFWDLWMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N2O/c1-2-10-7-13(15(17,18)19)12(8-20)14(21-10)22-11-5-3-4-9(16)6-11/h3-7H,2H2,1H3.
What are the key properties of 6-ethyl-2-(3-fluorophenoxy)-4-(trifluoromethyl)pyridine-3-carbonitrile?
6-ethyl-2-(3-fluorophenoxy)-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 310.25 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(3-fluorophenoxy)-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 147053435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).