2-[3-(2-oxo-1-pyridinyl)phenoxy]-6-(trifluoromethyl)pyridine-4-carbonitrile

C18H10F3N3O2 — CID 122536350

IUPAC2-[3-(2-oxo-1-pyridinyl)phenoxy]-6-(trifluoromethyl)pyridine-4-carbonitrile
SMILESN#Cc1cc(Oc2cccc(-n3ccccc3=O)c2)nc(C(F)(F)F)c1
InChIInChI=1S/C18H10F3N3O2/c19-18(20,21)15-8-12(11-22)9-16(23-15)26-14-5-3-4-13(10-14)24-7-2-1-6-17(24)25/h1-10H
InChIKeyQABXTBMZTNLNHD-UHFFFAOYSA-N
MW357.29 g/mol
LogP3.92
Rot. Bonds3

About 2-[3-(2-oxo-1-pyridinyl)phenoxy]-6-(trifluoromethyl)pyridine-4-carbonitrile

2-[3-(2-oxo-1-pyridinyl)phenoxy]-6-(trifluoromethyl)pyridine-4-carbonitrile (PubChem CID 122536350) has the molecular formula C18H10F3N3O2 and a molecular weight of 357.29 g/mol. Its IUPAC name is 2-[3-(2-oxo-1-pyridinyl)phenoxy]-6-(trifluoromethyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[3-(2-oxo-1-pyridinyl)phenoxy]-6-(trifluoromethyl)pyridine-4-carbonitrile
PubChem CID122536350
Molecular FormulaC18H10F3N3O2
Molecular Weight357.29 g/mol
Exact Mass357.07
IUPAC Name2-[3-(2-oxo-1-pyridinyl)phenoxy]-6-(trifluoromethyl)pyridine-4-carbonitrile
SMILESN#Cc1cc(Oc2cccc(-n3ccccc3=O)c2)nc(C(F)(F)F)c1
InChIInChI=1S/C18H10F3N3O2/c19-18(20,21)15-8-12(11-22)9-16(23-15)26-14-5-3-4-13(10-14)24-7-2-1-6-17(24)25/h1-10H
InChIKeyQABXTBMZTNLNHD-UHFFFAOYSA-N
XLogP3.92
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-oxo-1-pyridinyl)phenoxy]-6-(trifluoromethyl)pyridine-4-carbonitrile?
The IUPAC name of 2-[3-(2-oxo-1-pyridinyl)phenoxy]-6-(trifluoromethyl)pyridine-4-carbonitrile (CID 122536350) is 2-[3-(2-oxo-1-pyridinyl)phenoxy]-6-(trifluoromethyl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-[3-(2-oxo-1-pyridinyl)phenoxy]-6-(trifluoromethyl)pyridine-4-carbonitrile?
The canonical SMILES for 2-[3-(2-oxo-1-pyridinyl)phenoxy]-6-(trifluoromethyl)pyridine-4-carbonitrile is N#Cc1cc(Oc2cccc(-n3ccccc3=O)c2)nc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(2-oxo-1-pyridinyl)phenoxy]-6-(trifluoromethyl)pyridine-4-carbonitrile?
The InChIKey is QABXTBMZTNLNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3N3O2/c19-18(20,21)15-8-12(11-22)9-16(23-15)26-14-5-3-4-13(10-14)24-7-2-1-6-17(24)25/h1-10H.
What are the key properties of 2-[3-(2-oxo-1-pyridinyl)phenoxy]-6-(trifluoromethyl)pyridine-4-carbonitrile?
2-[3-(2-oxo-1-pyridinyl)phenoxy]-6-(trifluoromethyl)pyridine-4-carbonitrile has a molecular weight of 357.29 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-oxo-1-pyridinyl)phenoxy]-6-(trifluoromethyl)pyridine-4-carbonitrile is sourced from PubChem (CID 122536350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).