2-fluoro-6-pyrrolidin-1-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C15H22BFN2O2 — CID 46318136

IUPAC2-fluoro-6-pyrrolidin-1-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)OB(c2ccc(N3CCCC3)nc2F)OC1(C)C
InChIInChI=1S/C15H22BFN2O2/c1-14(2)15(3,4)21-16(20-14)11-7-8-12(18-13(11)17)19-9-5-6-10-19/h7-8H,5-6,9-10H2,1-4H3
InChIKeyCOKBPNNLEAKVLK-UHFFFAOYSA-N
MW292.16 g/mol
LogP2.12
Rot. Bonds2

About 2-fluoro-6-pyrrolidin-1-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

2-fluoro-6-pyrrolidin-1-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 46318136) has the molecular formula C15H22BFN2O2 and a molecular weight of 292.16 g/mol. Its IUPAC name is 2-fluoro-6-pyrrolidin-1-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

Compound Name2-fluoro-6-pyrrolidin-1-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
PubChem CID46318136
Molecular FormulaC15H22BFN2O2
Molecular Weight292.16 g/mol
Exact Mass292.18
IUPAC Name2-fluoro-6-pyrrolidin-1-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)OB(c2ccc(N3CCCC3)nc2F)OC1(C)C
InChIInChI=1S/C15H22BFN2O2/c1-14(2)15(3,4)21-16(20-14)11-7-8-12(18-13(11)17)19-9-5-6-10-19/h7-8H,5-6,9-10H2,1-4H3
InChIKeyCOKBPNNLEAKVLK-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-6-pyrrolidin-1-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The IUPAC name of 2-fluoro-6-pyrrolidin-1-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 46318136) is 2-fluoro-6-pyrrolidin-1-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
What is the SMILES notation for 2-fluoro-6-pyrrolidin-1-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The canonical SMILES for 2-fluoro-6-pyrrolidin-1-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is CC1(C)OB(c2ccc(N3CCCC3)nc2F)OC1(C)C.
What is the InChIKey of 2-fluoro-6-pyrrolidin-1-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The InChIKey is COKBPNNLEAKVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BFN2O2/c1-14(2)15(3,4)21-16(20-14)11-7-8-12(18-13(11)17)19-9-5-6-10-19/h7-8H,5-6,9-10H2,1-4H3.
What are the key properties of 2-fluoro-6-pyrrolidin-1-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
2-fluoro-6-pyrrolidin-1-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 292.16 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-pyrrolidin-1-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 46318136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).