5-(hydroxymethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile

C14H9F3N2O2 — CID 66825600

IUPAC5-(hydroxymethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile
SMILESN#Cc1cc(CO)ccc1Oc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H9F3N2O2/c15-14(16,17)13-4-2-11(7-19-13)21-12-3-1-9(8-20)5-10(12)6-18/h1-5,7,20H,8H2
InChIKeyPIFDRSUIEWVYCO-UHFFFAOYSA-N
MW294.23 g/mol
LogP3.26
Rot. Bonds3

About 5-(hydroxymethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile

5-(hydroxymethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile (PubChem CID 66825600) has the molecular formula C14H9F3N2O2 and a molecular weight of 294.23 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile
PubChem CID66825600
Molecular FormulaC14H9F3N2O2
Molecular Weight294.23 g/mol
Exact Mass294.06
IUPAC Name5-(hydroxymethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile
SMILESN#Cc1cc(CO)ccc1Oc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H9F3N2O2/c15-14(16,17)13-4-2-11(7-19-13)21-12-3-1-9(8-20)5-10(12)6-18/h1-5,7,20H,8H2
InChIKeyPIFDRSUIEWVYCO-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile?
The IUPAC name of 5-(hydroxymethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile (CID 66825600) is 5-(hydroxymethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile.
What is the SMILES notation for 5-(hydroxymethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile?
The canonical SMILES for 5-(hydroxymethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile is N#Cc1cc(CO)ccc1Oc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 5-(hydroxymethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile?
The InChIKey is PIFDRSUIEWVYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O2/c15-14(16,17)13-4-2-11(7-19-13)21-12-3-1-9(8-20)5-10(12)6-18/h1-5,7,20H,8H2.
What are the key properties of 5-(hydroxymethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile?
5-(hydroxymethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile has a molecular weight of 294.23 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile is sourced from PubChem (CID 66825600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).