2,3,5-trifluoro-4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyridine

C16H15F3N2O — CID 3649933

IUPAC2,3,5-trifluoro-4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyridine
SMILESCc1ccc(Oc2c(F)c(F)nc(N3CCCC3)c2F)cc1
InChIInChI=1S/C16H15F3N2O/c1-10-4-6-11(7-5-10)22-14-12(17)15(19)20-16(13(14)18)21-8-2-3-9-21/h4-7H,2-3,8-9H2,1H3
InChIKeyNWOSWFHEWSZIEX-UHFFFAOYSA-N
MW308.30 g/mol
LogP4.20
Rot. Bonds3

About 2,3,5-trifluoro-4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyridine

2,3,5-trifluoro-4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyridine (PubChem CID 3649933) has the molecular formula C16H15F3N2O and a molecular weight of 308.30 g/mol. Its IUPAC name is 2,3,5-trifluoro-4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound Name2,3,5-trifluoro-4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyridine
PubChem CID3649933
Molecular FormulaC16H15F3N2O
Molecular Weight308.30 g/mol
Exact Mass308.11
IUPAC Name2,3,5-trifluoro-4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyridine
SMILESCc1ccc(Oc2c(F)c(F)nc(N3CCCC3)c2F)cc1
InChIInChI=1S/C16H15F3N2O/c1-10-4-6-11(7-5-10)22-14-12(17)15(19)20-16(13(14)18)21-8-2-3-9-21/h4-7H,2-3,8-9H2,1H3
InChIKeyNWOSWFHEWSZIEX-UHFFFAOYSA-N
XLogP4.20
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 54.20
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 2,3,5-trifluoro-4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyridine?
The IUPAC name of 2,3,5-trifluoro-4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyridine (CID 3649933) is 2,3,5-trifluoro-4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyridine.
What is the SMILES notation for 2,3,5-trifluoro-4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyridine?
The canonical SMILES for 2,3,5-trifluoro-4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyridine is Cc1ccc(Oc2c(F)c(F)nc(N3CCCC3)c2F)cc1.
What is the InChIKey of 2,3,5-trifluoro-4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyridine?
The InChIKey is NWOSWFHEWSZIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O/c1-10-4-6-11(7-5-10)22-14-12(17)15(19)20-16(13(14)18)21-8-2-3-9-21/h4-7H,2-3,8-9H2,1H3.
What are the key properties of 2,3,5-trifluoro-4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyridine?
2,3,5-trifluoro-4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyridine has a molecular weight of 308.30 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trifluoro-4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 3649933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).