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

C13H8F6N2O — CID 122467218

IUPAC2-(3-fluoro-2-pyridinyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine
SMILESFc1cccnc1-c1ccc(OCC(F)(F)C(F)(F)F)cn1
InChIInChI=1S/C13H8F6N2O/c14-9-2-1-5-20-11(9)10-4-3-8(6-21-10)22-7-12(15,16)13(17,18)19/h1-6H,7H2
InChIKeyLYILOBFQKMPPSU-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.86
Rot. Bonds4

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

2-(3-fluoro-2-pyridinyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine (PubChem CID 122467218) has the molecular formula C13H8F6N2O and a molecular weight of 322.21 g/mol. Its IUPAC name is 2-(3-fluoro-2-pyridinyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine.

Molecular Properties

Compound Name2-(3-fluoro-2-pyridinyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine
PubChem CID122467218
Molecular FormulaC13H8F6N2O
Molecular Weight322.21 g/mol
Exact Mass322.05
IUPAC Name2-(3-fluoro-2-pyridinyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine
SMILESFc1cccnc1-c1ccc(OCC(F)(F)C(F)(F)F)cn1
InChIInChI=1S/C13H8F6N2O/c14-9-2-1-5-20-11(9)10-4-3-8(6-21-10)22-7-12(15,16)13(17,18)19/h1-6H,7H2
InChIKeyLYILOBFQKMPPSU-UHFFFAOYSA-N
XLogP3.86
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.86
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-(2,2,3,3,3-pentafluoropropoxy)pyridine?
The IUPAC name of 2-(3-fluoro-2-pyridinyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine (CID 122467218) is 2-(3-fluoro-2-pyridinyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine.
What is the SMILES notation for 2-(3-fluoro-2-pyridinyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine?
The canonical SMILES for 2-(3-fluoro-2-pyridinyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine is Fc1cccnc1-c1ccc(OCC(F)(F)C(F)(F)F)cn1.
What is the InChIKey of 2-(3-fluoro-2-pyridinyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine?
The InChIKey is LYILOBFQKMPPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F6N2O/c14-9-2-1-5-20-11(9)10-4-3-8(6-21-10)22-7-12(15,16)13(17,18)19/h1-6H,7H2.
What are the key properties of 2-(3-fluoro-2-pyridinyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine?
2-(3-fluoro-2-pyridinyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine has a molecular weight of 322.21 g/mol, XLogP of 3.86, 4 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-(2,2,3,3,3-pentafluoropropoxy)pyridine is sourced from PubChem (CID 122467218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).