2-chloro-5-(4,4,4-trifluorobutoxy)pyridine

C9H9ClF3NO — CID 115519759

IUPAC2-chloro-5-(4,4,4-trifluorobutoxy)pyridine
SMILESFC(F)(F)CCCOc1ccc(Cl)nc1
InChIInChI=1S/C9H9ClF3NO/c10-8-3-2-7(6-14-8)15-5-1-4-9(11,12)13/h2-3,6H,1,4-5H2
InChIKeyQALOUBKFFNHXFO-UHFFFAOYSA-N
MW239.62 g/mol
LogP3.46
Rot. Bonds4

About 2-chloro-5-(4,4,4-trifluorobutoxy)pyridine

2-chloro-5-(4,4,4-trifluorobutoxy)pyridine (PubChem CID 115519759) has the molecular formula C9H9ClF3NO and a molecular weight of 239.62 g/mol. Its IUPAC name is 2-chloro-5-(4,4,4-trifluorobutoxy)pyridine.

Molecular Properties

Compound Name2-chloro-5-(4,4,4-trifluorobutoxy)pyridine
PubChem CID115519759
Molecular FormulaC9H9ClF3NO
Molecular Weight239.62 g/mol
Exact Mass239.03
IUPAC Name2-chloro-5-(4,4,4-trifluorobutoxy)pyridine
SMILESFC(F)(F)CCCOc1ccc(Cl)nc1
InChIInChI=1S/C9H9ClF3NO/c10-8-3-2-7(6-14-8)15-5-1-4-9(11,12)13/h2-3,6H,1,4-5H2
InChIKeyQALOUBKFFNHXFO-UHFFFAOYSA-N
XLogP3.46
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.62
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4,4,4-trifluorobutoxy)pyridine?
The IUPAC name of 2-chloro-5-(4,4,4-trifluorobutoxy)pyridine (CID 115519759) is 2-chloro-5-(4,4,4-trifluorobutoxy)pyridine.
What is the SMILES notation for 2-chloro-5-(4,4,4-trifluorobutoxy)pyridine?
The canonical SMILES for 2-chloro-5-(4,4,4-trifluorobutoxy)pyridine is FC(F)(F)CCCOc1ccc(Cl)nc1.
What is the InChIKey of 2-chloro-5-(4,4,4-trifluorobutoxy)pyridine?
The InChIKey is QALOUBKFFNHXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO/c10-8-3-2-7(6-14-8)15-5-1-4-9(11,12)13/h2-3,6H,1,4-5H2.
What are the key properties of 2-chloro-5-(4,4,4-trifluorobutoxy)pyridine?
2-chloro-5-(4,4,4-trifluorobutoxy)pyridine has a molecular weight of 239.62 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4,4,4-trifluorobutoxy)pyridine is sourced from PubChem (CID 115519759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).