2-fluoro-6-[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]oxypyridine

C12H14F4N2O — CID 172904787

IUPAC2-fluoro-6-[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]oxypyridine
SMILESFc1cccc(OC2CCN(CCC(F)(F)F)C2)n1
InChIInChI=1S/C12H14F4N2O/c13-10-2-1-3-11(17-10)19-9-4-6-18(8-9)7-5-12(14,15)16/h1-3,9H,4-8H2
InChIKeyAHDMEOOPUYBGPY-UHFFFAOYSA-N
MW278.25 g/mol
LogP2.63
Rot. Bonds4

About 2-fluoro-6-[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]oxypyridine

2-fluoro-6-[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]oxypyridine (PubChem CID 172904787) has the molecular formula C12H14F4N2O and a molecular weight of 278.25 g/mol. Its IUPAC name is 2-fluoro-6-[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]oxypyridine.

Molecular Properties

Compound Name2-fluoro-6-[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]oxypyridine
PubChem CID172904787
Molecular FormulaC12H14F4N2O
Molecular Weight278.25 g/mol
Exact Mass278.10
IUPAC Name2-fluoro-6-[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]oxypyridine
SMILESFc1cccc(OC2CCN(CCC(F)(F)F)C2)n1
InChIInChI=1S/C12H14F4N2O/c13-10-2-1-3-11(17-10)19-9-4-6-18(8-9)7-5-12(14,15)16/h1-3,9H,4-8H2
InChIKeyAHDMEOOPUYBGPY-UHFFFAOYSA-N
XLogP2.63
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]oxypyridine?
The IUPAC name of 2-fluoro-6-[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]oxypyridine (CID 172904787) is 2-fluoro-6-[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]oxypyridine.
What is the SMILES notation for 2-fluoro-6-[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]oxypyridine?
The canonical SMILES for 2-fluoro-6-[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]oxypyridine is Fc1cccc(OC2CCN(CCC(F)(F)F)C2)n1.
What is the InChIKey of 2-fluoro-6-[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]oxypyridine?
The InChIKey is AHDMEOOPUYBGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2O/c13-10-2-1-3-11(17-10)19-9-4-6-18(8-9)7-5-12(14,15)16/h1-3,9H,4-8H2.
What are the key properties of 2-fluoro-6-[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]oxypyridine?
2-fluoro-6-[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]oxypyridine has a molecular weight of 278.25 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]oxypyridine is sourced from PubChem (CID 172904787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).