2-fluoro-3-(1-fluoroethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C13H18BF2NO2 — CID 123724368

IUPAC2-fluoro-3-(1-fluoroethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC(F)c1cc(B2OC(C)(C)C(C)(C)O2)cnc1F
InChIInChI=1S/C13H18BF2NO2/c1-8(15)10-6-9(7-17-11(10)16)14-18-12(2,3)13(4,5)19-14/h6-8H,1-5H3
InChIKeySLEJMQSDJJOQCW-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.55
Rot. Bonds2

About 2-fluoro-3-(1-fluoroethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

2-fluoro-3-(1-fluoroethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 123724368) has the molecular formula C13H18BF2NO2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 2-fluoro-3-(1-fluoroethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

Compound Name2-fluoro-3-(1-fluoroethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
PubChem CID123724368
Molecular FormulaC13H18BF2NO2
Molecular Weight269.10 g/mol
Exact Mass269.14
IUPAC Name2-fluoro-3-(1-fluoroethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC(F)c1cc(B2OC(C)(C)C(C)(C)O2)cnc1F
InChIInChI=1S/C13H18BF2NO2/c1-8(15)10-6-9(7-17-11(10)16)14-18-12(2,3)13(4,5)19-14/h6-8H,1-5H3
InChIKeySLEJMQSDJJOQCW-UHFFFAOYSA-N
XLogP2.55
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(1-fluoroethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The IUPAC name of 2-fluoro-3-(1-fluoroethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 123724368) is 2-fluoro-3-(1-fluoroethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
What is the SMILES notation for 2-fluoro-3-(1-fluoroethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The canonical SMILES for 2-fluoro-3-(1-fluoroethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is CC(F)c1cc(B2OC(C)(C)C(C)(C)O2)cnc1F.
What is the InChIKey of 2-fluoro-3-(1-fluoroethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The InChIKey is SLEJMQSDJJOQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BF2NO2/c1-8(15)10-6-9(7-17-11(10)16)14-18-12(2,3)13(4,5)19-14/h6-8H,1-5H3.
What are the key properties of 2-fluoro-3-(1-fluoroethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
2-fluoro-3-(1-fluoroethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 269.10 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(1-fluoroethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 123724368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).