2-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]acetonitrile

C8H5F3N2O — CID 131169285

IUPAC2-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1cc(C(F)(F)F)c(O)cn1
InChIInChI=1S/C8H5F3N2O/c9-8(10,11)6-3-5(1-2-12)13-4-7(6)14/h3-4,14H,1H2
InChIKeyBLDCKTKGXYHBFT-UHFFFAOYSA-N
MW202.13 g/mol
LogP1.87
Rot. Bonds1

About 2-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]acetonitrile

2-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]acetonitrile (PubChem CID 131169285) has the molecular formula C8H5F3N2O and a molecular weight of 202.13 g/mol. Its IUPAC name is 2-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
PubChem CID131169285
Molecular FormulaC8H5F3N2O
Molecular Weight202.13 g/mol
Exact Mass202.04
IUPAC Name2-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1cc(C(F)(F)F)c(O)cn1
InChIInChI=1S/C8H5F3N2O/c9-8(10,11)6-3-5(1-2-12)13-4-7(6)14/h3-4,14H,1H2
InChIKeyBLDCKTKGXYHBFT-UHFFFAOYSA-N
XLogP1.87
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.13
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]acetonitrile (CID 131169285) is 2-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]acetonitrile is N#CCc1cc(C(F)(F)F)c(O)cn1.
What is the InChIKey of 2-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The InChIKey is BLDCKTKGXYHBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O/c9-8(10,11)6-3-5(1-2-12)13-4-7(6)14/h3-4,14H,1H2.
What are the key properties of 2-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]acetonitrile?
2-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]acetonitrile has a molecular weight of 202.13 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 131169285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).