2-[2-fluoro-6-oxo-4-(trifluoromethyl)-1-pyridinyl]acetonitrile

C8H4F4N2O — CID 23048998

IUPAC2-[2-fluoro-6-oxo-4-(trifluoromethyl)-1-pyridinyl]acetonitrile
SMILESN#CCn1c(F)cc(C(F)(F)F)cc1=O
InChIInChI=1S/C8H4F4N2O/c9-6-3-5(8(10,11)12)4-7(15)14(6)2-1-13/h3-4H,2H2
InChIKeyLLUGINYMKQAGQY-UHFFFAOYSA-N
MW220.12 g/mol
LogP1.53
Rot. Bonds1

About 2-[2-fluoro-6-oxo-4-(trifluoromethyl)-1-pyridinyl]acetonitrile

2-[2-fluoro-6-oxo-4-(trifluoromethyl)-1-pyridinyl]acetonitrile (PubChem CID 23048998) has the molecular formula C8H4F4N2O and a molecular weight of 220.12 g/mol. Its IUPAC name is 2-[2-fluoro-6-oxo-4-(trifluoromethyl)-1-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2-fluoro-6-oxo-4-(trifluoromethyl)-1-pyridinyl]acetonitrile
PubChem CID23048998
Molecular FormulaC8H4F4N2O
Molecular Weight220.12 g/mol
Exact Mass220.03
IUPAC Name2-[2-fluoro-6-oxo-4-(trifluoromethyl)-1-pyridinyl]acetonitrile
SMILESN#CCn1c(F)cc(C(F)(F)F)cc1=O
InChIInChI=1S/C8H4F4N2O/c9-6-3-5(8(10,11)12)4-7(15)14(6)2-1-13/h3-4H,2H2
InChIKeyLLUGINYMKQAGQY-UHFFFAOYSA-N
XLogP1.53
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.12
LogP ≤ 51.53
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-6-oxo-4-(trifluoromethyl)-1-pyridinyl]acetonitrile?
The IUPAC name of 2-[2-fluoro-6-oxo-4-(trifluoromethyl)-1-pyridinyl]acetonitrile (CID 23048998) is 2-[2-fluoro-6-oxo-4-(trifluoromethyl)-1-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2-fluoro-6-oxo-4-(trifluoromethyl)-1-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2-fluoro-6-oxo-4-(trifluoromethyl)-1-pyridinyl]acetonitrile is N#CCn1c(F)cc(C(F)(F)F)cc1=O.
What is the InChIKey of 2-[2-fluoro-6-oxo-4-(trifluoromethyl)-1-pyridinyl]acetonitrile?
The InChIKey is LLUGINYMKQAGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4N2O/c9-6-3-5(8(10,11)12)4-7(15)14(6)2-1-13/h3-4H,2H2.
What are the key properties of 2-[2-fluoro-6-oxo-4-(trifluoromethyl)-1-pyridinyl]acetonitrile?
2-[2-fluoro-6-oxo-4-(trifluoromethyl)-1-pyridinyl]acetonitrile has a molecular weight of 220.12 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-6-oxo-4-(trifluoromethyl)-1-pyridinyl]acetonitrile is sourced from PubChem (CID 23048998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).