2-[6-(difluoromethyl)-5-hydroxy-3-(trifluoromethyl)-2-pyridinyl]acetonitrile

C9H5F5N2O — CID 118842791

IUPAC2-[6-(difluoromethyl)-5-hydroxy-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(C(F)F)c(O)cc1C(F)(F)F
InChIInChI=1S/C9H5F5N2O/c10-8(11)7-6(17)3-4(9(12,13)14)5(16-7)1-2-15/h3,8,17H,1H2
InChIKeyIEFZVIDEWBQZII-UHFFFAOYSA-N
MW252.14 g/mol
LogP2.81
Rot. Bonds2

About 2-[6-(difluoromethyl)-5-hydroxy-3-(trifluoromethyl)-2-pyridinyl]acetonitrile

2-[6-(difluoromethyl)-5-hydroxy-3-(trifluoromethyl)-2-pyridinyl]acetonitrile (PubChem CID 118842791) has the molecular formula C9H5F5N2O and a molecular weight of 252.14 g/mol. Its IUPAC name is 2-[6-(difluoromethyl)-5-hydroxy-3-(trifluoromethyl)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-(difluoromethyl)-5-hydroxy-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
PubChem CID118842791
Molecular FormulaC9H5F5N2O
Molecular Weight252.14 g/mol
Exact Mass252.03
IUPAC Name2-[6-(difluoromethyl)-5-hydroxy-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(C(F)F)c(O)cc1C(F)(F)F
InChIInChI=1S/C9H5F5N2O/c10-8(11)7-6(17)3-4(9(12,13)14)5(16-7)1-2-15/h3,8,17H,1H2
InChIKeyIEFZVIDEWBQZII-UHFFFAOYSA-N
XLogP2.81
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.14
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118820546
2-[2-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetonitrile
CID 118843738
2-[2-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118815881
2-[6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118853773
2-(difluoromethyl)-6-iodo-5-(trifluoromethyl)pyridin-3-ol
CID 118825956
2-[6-(difluoromethyl)-5-hydroxy-2-iodo-3-pyridinyl]acetonitrile
CID 118820324
2-[6-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 171029764
2-[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 133104341
2-[6-(difluoromethyl)-5-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118820361
6-(difluoromethyl)-2-fluoro-5-(trifluoromethyl)pyridin-3-ol
CID 133106260
2-[6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetonitrile
CID 118814844
2-[6-(difluoromethyl)-2-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 133099058

Frequently Asked Questions

What is the IUPAC name of 2-[6-(difluoromethyl)-5-hydroxy-3-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-(difluoromethyl)-5-hydroxy-3-(trifluoromethyl)-2-pyridinyl]acetonitrile (CID 118842791) is 2-[6-(difluoromethyl)-5-hydroxy-3-(trifluoromethyl)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-(difluoromethyl)-5-hydroxy-3-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-(difluoromethyl)-5-hydroxy-3-(trifluoromethyl)-2-pyridinyl]acetonitrile is N#CCc1nc(C(F)F)c(O)cc1C(F)(F)F.
What is the InChIKey of 2-[6-(difluoromethyl)-5-hydroxy-3-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The InChIKey is IEFZVIDEWBQZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F5N2O/c10-8(11)7-6(17)3-4(9(12,13)14)5(16-7)1-2-15/h3,8,17H,1H2.
What are the key properties of 2-[6-(difluoromethyl)-5-hydroxy-3-(trifluoromethyl)-2-pyridinyl]acetonitrile?
2-[6-(difluoromethyl)-5-hydroxy-3-(trifluoromethyl)-2-pyridinyl]acetonitrile has a molecular weight of 252.14 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(difluoromethyl)-5-hydroxy-3-(trifluoromethyl)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 118842791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).