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

C8H5F3N2O — CID 130132634

IUPAC2-hydroxy-2-[6-(trifluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CC(O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C8H5F3N2O/c9-8(10,11)7-3-1-2-5(13-7)6(14)4-12/h1-3,6,14H
InChIKeyCJCJGBCXMNZARG-UHFFFAOYSA-N
MW202.14 g/mol
LogP1.66
Rot. Bonds1

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

2-hydroxy-2-[6-(trifluoromethyl)-2-pyridinyl]acetonitrile (PubChem CID 130132634) has the molecular formula C8H5F3N2O and a molecular weight of 202.14 g/mol. Its IUPAC name is 2-hydroxy-2-[6-(trifluoromethyl)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-hydroxy-2-[6-(trifluoromethyl)-2-pyridinyl]acetonitrile
PubChem CID130132634
Molecular FormulaC8H5F3N2O
Molecular Weight202.14 g/mol
Exact Mass202.04
IUPAC Name2-hydroxy-2-[6-(trifluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CC(O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C8H5F3N2O/c9-8(10,11)7-3-1-2-5(13-7)6(14)4-12/h1-3,6,14H
InChIKeyCJCJGBCXMNZARG-UHFFFAOYSA-N
XLogP1.66
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.14
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-hydroxy-2-[6-(trifluoromethyl)-2-pyridinyl]acetonitrile (CID 130132634) is 2-hydroxy-2-[6-(trifluoromethyl)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-hydroxy-2-[6-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-hydroxy-2-[6-(trifluoromethyl)-2-pyridinyl]acetonitrile is N#CC(O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-hydroxy-2-[6-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The InChIKey is CJCJGBCXMNZARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O/c9-8(10,11)7-3-1-2-5(13-7)6(14)4-12/h1-3,6,14H.
What are the key properties of 2-hydroxy-2-[6-(trifluoromethyl)-2-pyridinyl]acetonitrile?
2-hydroxy-2-[6-(trifluoromethyl)-2-pyridinyl]acetonitrile has a molecular weight of 202.14 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[6-(trifluoromethyl)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 130132634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).