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

C15H19BFN3O2 — CID 71128160

IUPAC2-(4-fluoro-1-methylpyrazol-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCn1cc(F)c(-c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)n1
InChIInChI=1S/C15H19BFN3O2/c1-14(2)15(3,4)22-16(21-14)10-6-7-12(18-8-10)13-11(17)9-20(5)19-13/h6-9H,1-5H3
InChIKeyLXKNVIUQSYGBBY-UHFFFAOYSA-N
MW303.15 g/mol
LogP1.92
Rot. Bonds2

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

2-(4-fluoro-1-methylpyrazol-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 71128160) has the molecular formula C15H19BFN3O2 and a molecular weight of 303.15 g/mol. Its IUPAC name is 2-(4-fluoro-1-methylpyrazol-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

Compound Name2-(4-fluoro-1-methylpyrazol-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
PubChem CID71128160
Molecular FormulaC15H19BFN3O2
Molecular Weight303.15 g/mol
Exact Mass303.16
IUPAC Name2-(4-fluoro-1-methylpyrazol-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCn1cc(F)c(-c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)n1
InChIInChI=1S/C15H19BFN3O2/c1-14(2)15(3,4)22-16(21-14)10-6-7-12(18-8-10)13-11(17)9-20(5)19-13/h6-9H,1-5H3
InChIKeyLXKNVIUQSYGBBY-UHFFFAOYSA-N
XLogP1.92
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(4-fluoro-1-methylpyrazol-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The IUPAC name of 2-(4-fluoro-1-methylpyrazol-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 71128160) is 2-(4-fluoro-1-methylpyrazol-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
What is the SMILES notation for 2-(4-fluoro-1-methylpyrazol-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The canonical SMILES for 2-(4-fluoro-1-methylpyrazol-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is Cn1cc(F)c(-c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)n1.
What is the InChIKey of 2-(4-fluoro-1-methylpyrazol-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The InChIKey is LXKNVIUQSYGBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BFN3O2/c1-14(2)15(3,4)22-16(21-14)10-6-7-12(18-8-10)13-11(17)9-20(5)19-13/h6-9H,1-5H3.
What are the key properties of 2-(4-fluoro-1-methylpyrazol-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
2-(4-fluoro-1-methylpyrazol-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 303.15 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1-methylpyrazol-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 71128160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).