3-prop-2-enoxy-5-(2,2,2-trichloroethyl)pyridine

C10H10Cl3NO — CID 57099920

IUPAC3-prop-2-enoxy-5-(2,2,2-trichloroethyl)pyridine
SMILESC=CCOc1cncc(CC(Cl)(Cl)Cl)c1
InChIInChI=1S/C10H10Cl3NO/c1-2-3-15-9-4-8(6-14-7-9)5-10(11,12)13/h2,4,6-7H,1,3,5H2
InChIKeyABVHZQGNCJGYBJ-UHFFFAOYSA-N
MW266.56 g/mol
LogP3.56
Rot. Bonds4

About 3-prop-2-enoxy-5-(2,2,2-trichloroethyl)pyridine

3-prop-2-enoxy-5-(2,2,2-trichloroethyl)pyridine (PubChem CID 57099920) has the molecular formula C10H10Cl3NO and a molecular weight of 266.56 g/mol. Its IUPAC name is 3-prop-2-enoxy-5-(2,2,2-trichloroethyl)pyridine.

Molecular Properties

Compound Name3-prop-2-enoxy-5-(2,2,2-trichloroethyl)pyridine
PubChem CID57099920
Molecular FormulaC10H10Cl3NO
Molecular Weight266.56 g/mol
Exact Mass264.98
IUPAC Name3-prop-2-enoxy-5-(2,2,2-trichloroethyl)pyridine
SMILESC=CCOc1cncc(CC(Cl)(Cl)Cl)c1
InChIInChI=1S/C10H10Cl3NO/c1-2-3-15-9-4-8(6-14-7-9)5-10(11,12)13/h2,4,6-7H,1,3,5H2
InChIKeyABVHZQGNCJGYBJ-UHFFFAOYSA-N
XLogP3.56
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.56
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoxy-5-(2,2,2-trichloroethyl)pyridine?
The IUPAC name of 3-prop-2-enoxy-5-(2,2,2-trichloroethyl)pyridine (CID 57099920) is 3-prop-2-enoxy-5-(2,2,2-trichloroethyl)pyridine.
What is the SMILES notation for 3-prop-2-enoxy-5-(2,2,2-trichloroethyl)pyridine?
The canonical SMILES for 3-prop-2-enoxy-5-(2,2,2-trichloroethyl)pyridine is C=CCOc1cncc(CC(Cl)(Cl)Cl)c1.
What is the InChIKey of 3-prop-2-enoxy-5-(2,2,2-trichloroethyl)pyridine?
The InChIKey is ABVHZQGNCJGYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl3NO/c1-2-3-15-9-4-8(6-14-7-9)5-10(11,12)13/h2,4,6-7H,1,3,5H2.
What are the key properties of 3-prop-2-enoxy-5-(2,2,2-trichloroethyl)pyridine?
3-prop-2-enoxy-5-(2,2,2-trichloroethyl)pyridine has a molecular weight of 266.56 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxy-5-(2,2,2-trichloroethyl)pyridine is sourced from PubChem (CID 57099920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).