2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C15H22BFN2O2 — CID 171545633

IUPAC2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)OB(c2ccc(N3CC[C@@H](F)C3)nc2)OC1(C)C
InChIInChI=1S/C15H22BFN2O2/c1-14(2)15(3,4)21-16(20-14)11-5-6-13(18-9-11)19-8-7-12(17)10-19/h5-6,9,12H,7-8,10H2,1-4H3/t12-/m1/s1
InChIKeyJRESXFWBIYDTSR-GFCCVEGCSA-N
MW292.16 g/mol
LogP1.93
Rot. Bonds2

About 2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 171545633) has the molecular formula C15H22BFN2O2 and a molecular weight of 292.16 g/mol. Its IUPAC name is 2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

Compound Name2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
PubChem CID171545633
Molecular FormulaC15H22BFN2O2
Molecular Weight292.16 g/mol
Exact Mass292.18
IUPAC Name2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)OB(c2ccc(N3CC[C@@H](F)C3)nc2)OC1(C)C
InChIInChI=1S/C15H22BFN2O2/c1-14(2)15(3,4)21-16(20-14)11-5-6-13(18-9-11)19-8-7-12(17)10-19/h5-6,9,12H,7-8,10H2,1-4H3/t12-/m1/s1
InChIKeyJRESXFWBIYDTSR-GFCCVEGCSA-N
XLogP1.93
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.16
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The IUPAC name of 2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 171545633) is 2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
What is the SMILES notation for 2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The canonical SMILES for 2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is CC1(C)OB(c2ccc(N3CC[C@@H](F)C3)nc2)OC1(C)C.
What is the InChIKey of 2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The InChIKey is JRESXFWBIYDTSR-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22BFN2O2/c1-14(2)15(3,4)21-16(20-14)11-5-6-13(18-9-11)19-8-7-12(17)10-19/h5-6,9,12H,7-8,10H2,1-4H3/t12-/m1/s1.
What are the key properties of 2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 292.16 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 171545633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).