2-(3-fluoro-2-pyridinyl)-5-(2,2,3,3-tetrafluoropropoxy)pyridine

C13H9F5N2O — CID 122467306

IUPAC2-(3-fluoro-2-pyridinyl)-5-(2,2,3,3-tetrafluoropropoxy)pyridine
SMILESFc1cccnc1-c1ccc(OCC(F)(F)C(F)F)cn1
InChIInChI=1S/C13H9F5N2O/c14-9-2-1-5-19-11(9)10-4-3-8(6-20-10)21-7-13(17,18)12(15)16/h1-6,12H,7H2
InChIKeyFUMHTJGFALPITQ-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.56
Rot. Bonds5

About 2-(3-fluoro-2-pyridinyl)-5-(2,2,3,3-tetrafluoropropoxy)pyridine

2-(3-fluoro-2-pyridinyl)-5-(2,2,3,3-tetrafluoropropoxy)pyridine (PubChem CID 122467306) has the molecular formula C13H9F5N2O and a molecular weight of 304.22 g/mol. Its IUPAC name is 2-(3-fluoro-2-pyridinyl)-5-(2,2,3,3-tetrafluoropropoxy)pyridine.

Molecular Properties

Compound Name2-(3-fluoro-2-pyridinyl)-5-(2,2,3,3-tetrafluoropropoxy)pyridine
PubChem CID122467306
Molecular FormulaC13H9F5N2O
Molecular Weight304.22 g/mol
Exact Mass304.06
IUPAC Name2-(3-fluoro-2-pyridinyl)-5-(2,2,3,3-tetrafluoropropoxy)pyridine
SMILESFc1cccnc1-c1ccc(OCC(F)(F)C(F)F)cn1
InChIInChI=1S/C13H9F5N2O/c14-9-2-1-5-19-11(9)10-4-3-8(6-20-10)21-7-13(17,18)12(15)16/h1-6,12H,7H2
InChIKeyFUMHTJGFALPITQ-UHFFFAOYSA-N
XLogP3.56
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-pyridinyl)-5-(2,2,3,3-tetrafluoropropoxy)pyridine?
The IUPAC name of 2-(3-fluoro-2-pyridinyl)-5-(2,2,3,3-tetrafluoropropoxy)pyridine (CID 122467306) is 2-(3-fluoro-2-pyridinyl)-5-(2,2,3,3-tetrafluoropropoxy)pyridine.
What is the SMILES notation for 2-(3-fluoro-2-pyridinyl)-5-(2,2,3,3-tetrafluoropropoxy)pyridine?
The canonical SMILES for 2-(3-fluoro-2-pyridinyl)-5-(2,2,3,3-tetrafluoropropoxy)pyridine is Fc1cccnc1-c1ccc(OCC(F)(F)C(F)F)cn1.
What is the InChIKey of 2-(3-fluoro-2-pyridinyl)-5-(2,2,3,3-tetrafluoropropoxy)pyridine?
The InChIKey is FUMHTJGFALPITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F5N2O/c14-9-2-1-5-19-11(9)10-4-3-8(6-20-10)21-7-13(17,18)12(15)16/h1-6,12H,7H2.
What are the key properties of 2-(3-fluoro-2-pyridinyl)-5-(2,2,3,3-tetrafluoropropoxy)pyridine?
2-(3-fluoro-2-pyridinyl)-5-(2,2,3,3-tetrafluoropropoxy)pyridine has a molecular weight of 304.22 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-pyridinyl)-5-(2,2,3,3-tetrafluoropropoxy)pyridine is sourced from PubChem (CID 122467306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).