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

C8H4F4N2O — CID 133094899

IUPAC2-[6-fluoro-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
SMILESN#CCc1cc(OC(F)(F)F)cc(F)n1
InChIInChI=1S/C8H4F4N2O/c9-7-4-6(15-8(10,11)12)3-5(14-7)1-2-13/h3-4H,1H2
InChIKeyZKPRXOIFRPXIPN-UHFFFAOYSA-N
MW220.12 g/mol
LogP2.19
Rot. Bonds2

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

2-[6-fluoro-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile (PubChem CID 133094899) has the molecular formula C8H4F4N2O and a molecular weight of 220.12 g/mol. Its IUPAC name is 2-[6-fluoro-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-fluoro-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
PubChem CID133094899
Molecular FormulaC8H4F4N2O
Molecular Weight220.12 g/mol
Exact Mass220.03
IUPAC Name2-[6-fluoro-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
SMILESN#CCc1cc(OC(F)(F)F)cc(F)n1
InChIInChI=1S/C8H4F4N2O/c9-7-4-6(15-8(10,11)12)3-5(14-7)1-2-13/h3-4H,1H2
InChIKeyZKPRXOIFRPXIPN-UHFFFAOYSA-N
XLogP2.19
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.12
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[6-nitro-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133095026
2-[6-fluoro-3-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134658688
2-amino-6-(cyanomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119024165
2-[5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133086423
2-[5-(fluoromethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133095123
2-[4-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 134682248
2-[2-(difluoromethyl)-6-fluoro-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118854439
2-[4-(bromomethyl)-6-iodo-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134661523
2-[5-(chloromethyl)-6-methyl-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133094633
2-[5-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133095106
2-[4-(chloromethyl)-5-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133094654
2-[6-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 118803481

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-fluoro-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile (CID 133094899) is 2-[6-fluoro-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-fluoro-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-fluoro-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile is N#CCc1cc(OC(F)(F)F)cc(F)n1.
What is the InChIKey of 2-[6-fluoro-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
The InChIKey is ZKPRXOIFRPXIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4N2O/c9-7-4-6(15-8(10,11)12)3-5(14-7)1-2-13/h3-4H,1H2.
What are the key properties of 2-[6-fluoro-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
2-[6-fluoro-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile has a molecular weight of 220.12 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 133094899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).