2-hydroxy-2-[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]acetonitrile

C14H9F3N2O2 — CID 23337856

IUPAC2-hydroxy-2-[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]acetonitrile
SMILESN#CC(O)c1cccc(Oc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C14H9F3N2O2/c15-14(16,17)9-4-6-10(7-5-9)21-13-3-1-2-11(19-13)12(20)8-18/h1-7,12,20H
InChIKeyOIPQGSUCSWAKJA-UHFFFAOYSA-N
MW294.23 g/mol
LogP3.45
Rot. Bonds3

About 2-hydroxy-2-[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]acetonitrile

2-hydroxy-2-[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]acetonitrile (PubChem CID 23337856) has the molecular formula C14H9F3N2O2 and a molecular weight of 294.23 g/mol. Its IUPAC name is 2-hydroxy-2-[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-hydroxy-2-[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]acetonitrile
PubChem CID23337856
Molecular FormulaC14H9F3N2O2
Molecular Weight294.23 g/mol
Exact Mass294.06
IUPAC Name2-hydroxy-2-[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]acetonitrile
SMILESN#CC(O)c1cccc(Oc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C14H9F3N2O2/c15-14(16,17)9-4-6-10(7-5-9)21-13-3-1-2-11(19-13)12(20)8-18/h1-7,12,20H
InChIKeyOIPQGSUCSWAKJA-UHFFFAOYSA-N
XLogP3.45
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]acetonitrile?
The IUPAC name of 2-hydroxy-2-[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]acetonitrile (CID 23337856) is 2-hydroxy-2-[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-hydroxy-2-[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-hydroxy-2-[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]acetonitrile is N#CC(O)c1cccc(Oc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-hydroxy-2-[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]acetonitrile?
The InChIKey is OIPQGSUCSWAKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O2/c15-14(16,17)9-4-6-10(7-5-9)21-13-3-1-2-11(19-13)12(20)8-18/h1-7,12,20H.
What are the key properties of 2-hydroxy-2-[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]acetonitrile?
2-hydroxy-2-[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]acetonitrile has a molecular weight of 294.23 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]acetonitrile is sourced from PubChem (CID 23337856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).