2-pent-4-enoxy-6-(trifluoromethyl)pyridine-3-carbonitrile

C12H11F3N2O — CID 79877373

IUPAC2-pent-4-enoxy-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESC=CCCCOc1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C12H11F3N2O/c1-2-3-4-7-18-11-9(8-16)5-6-10(17-11)12(13,14)15/h2,5-6H,1,3-4,7H2
InChIKeyHCTPMAAPXTURSW-UHFFFAOYSA-N
MW256.23 g/mol
LogP3.32
Rot. Bonds5

About 2-pent-4-enoxy-6-(trifluoromethyl)pyridine-3-carbonitrile

2-pent-4-enoxy-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 79877373) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 2-pent-4-enoxy-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-pent-4-enoxy-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID79877373
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name2-pent-4-enoxy-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESC=CCCCOc1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C12H11F3N2O/c1-2-3-4-7-18-11-9(8-16)5-6-10(17-11)12(13,14)15/h2,5-6H,1,3-4,7H2
InChIKeyHCTPMAAPXTURSW-UHFFFAOYSA-N
XLogP3.32
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pent-4-enoxy-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-pent-4-enoxy-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 79877373) is 2-pent-4-enoxy-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-pent-4-enoxy-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-pent-4-enoxy-6-(trifluoromethyl)pyridine-3-carbonitrile is C=CCCCOc1nc(C(F)(F)F)ccc1C#N.
What is the InChIKey of 2-pent-4-enoxy-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is HCTPMAAPXTURSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-2-3-4-7-18-11-9(8-16)5-6-10(17-11)12(13,14)15/h2,5-6H,1,3-4,7H2.
What are the key properties of 2-pent-4-enoxy-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-pent-4-enoxy-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 256.23 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-4-enoxy-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 79877373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).