2-[6-fluoro-3-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile

C8H4F4N2O2 — CID 134658688

IUPAC2-[6-fluoro-3-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(F)cc(OC(F)(F)F)c1O
InChIInChI=1S/C8H4F4N2O2/c9-6-3-5(16-8(10,11)12)7(15)4(14-6)1-2-13/h3,15H,1H2
InChIKeyOZJSCDAGQNFBQZ-UHFFFAOYSA-N
MW236.12 g/mol
LogP1.89
Rot. Bonds2

About 2-[6-fluoro-3-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile

2-[6-fluoro-3-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile (PubChem CID 134658688) has the molecular formula C8H4F4N2O2 and a molecular weight of 236.12 g/mol. Its IUPAC name is 2-[6-fluoro-3-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-fluoro-3-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
PubChem CID134658688
Molecular FormulaC8H4F4N2O2
Molecular Weight236.12 g/mol
Exact Mass236.02
IUPAC Name2-[6-fluoro-3-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(F)cc(OC(F)(F)F)c1O
InChIInChI=1S/C8H4F4N2O2/c9-6-3-5(16-8(10,11)12)7(15)4(14-6)1-2-13/h3,15H,1H2
InChIKeyOZJSCDAGQNFBQZ-UHFFFAOYSA-N
XLogP1.89
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.12
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[3-hydroxy-6-nitro-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134681205
2-[2-(difluoromethyl)-6-fluoro-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118854439
2-[4-methoxy-6-methyl-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134665056
6-amino-2-(cyanomethyl)-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118994523
2-[3-hydroxy-4-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134679216
2-[6-fluoro-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133094899
2-[6-iodo-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 134667886
2-[6-(difluoromethyl)-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 118809568
2-[5-(fluoromethyl)-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134682687
2-[6-amino-3-(aminomethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 118996718
2-[3-(aminomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 134667935
2-[5-fluoro-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134664833

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-3-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-fluoro-3-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile (CID 134658688) is 2-[6-fluoro-3-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-fluoro-3-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-fluoro-3-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile is N#CCc1nc(F)cc(OC(F)(F)F)c1O.
What is the InChIKey of 2-[6-fluoro-3-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
The InChIKey is OZJSCDAGQNFBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4N2O2/c9-6-3-5(16-8(10,11)12)7(15)4(14-6)1-2-13/h3,15H,1H2.
What are the key properties of 2-[6-fluoro-3-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
2-[6-fluoro-3-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile has a molecular weight of 236.12 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-3-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 134658688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).