2-[4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-pyrazol-5-yl]pyridine

C16H19BFN3O2 — CID 171111559

IUPAC2-[4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-pyrazol-5-yl]pyridine
SMILESCC1(C)OB(C(F)=Cc2cn[nH]c2-c2ccccn2)OC1(C)C
InChIInChI=1S/C16H19BFN3O2/c1-15(2)16(3,4)23-17(22-15)13(18)9-11-10-20-21-14(11)12-7-5-6-8-19-12/h5-10H,1-4H3,(H,20,21)
InChIKeyBAAUJPXHRZWWDV-UHFFFAOYSA-N
MW315.16 g/mol
LogP3.41
Rot. Bonds3

About 2-[4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-pyrazol-5-yl]pyridine

2-[4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-pyrazol-5-yl]pyridine (PubChem CID 171111559) has the molecular formula C16H19BFN3O2 and a molecular weight of 315.16 g/mol. Its IUPAC name is 2-[4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-pyrazol-5-yl]pyridine.

Molecular Properties

Compound Name2-[4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-pyrazol-5-yl]pyridine
PubChem CID171111559
Molecular FormulaC16H19BFN3O2
Molecular Weight315.16 g/mol
Exact Mass315.16
IUPAC Name2-[4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-pyrazol-5-yl]pyridine
SMILESCC1(C)OB(C(F)=Cc2cn[nH]c2-c2ccccn2)OC1(C)C
InChIInChI=1S/C16H19BFN3O2/c1-15(2)16(3,4)23-17(22-15)13(18)9-11-10-20-21-14(11)12-7-5-6-8-19-12/h5-10H,1-4H3,(H,20,21)
InChIKeyBAAUJPXHRZWWDV-UHFFFAOYSA-N
XLogP3.41
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.16
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-pyrazol-5-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 12106168
2-methyl-5-(1H-pyrazol-5-yl)pyridine
CID 2805912
4-{1-methyl-4-[4-(4-methyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-3-yl}pyridine
CID 25093325
3-(5-Methyl-1H-pyrazol-3-yl)pyridine
CID 12707229
2-(4-(4-Fluorophenyl)-1H-pyrazol-3-yl)-6-methylpyridine
CID 10083602
2-[4-(4-Fluoro-phenyl)-1H-pyrazol-3-yl]-pyridine
CID 10900715
2-(4-(2-Fluoro-5-(3-(6-methylpyridin-2-yl)-1H-pyrazol-4-yl)phenyl)-1H-pyrazol-1-yl)ethan-1-ol
CID 11703284
2-Methyl-6-(4-phenyl-1H-pyrazol-3-yl)-pyridine
CID 11791162
2-[4-(3,4-Difluoro-phenyl)-1H-pyrazol-3-yl]-6-methyl-pyridine
CID 11807788
2-(1H-pyrazol-4-yl)pyridine
CID 3578981
4-[4-(4-Fluorophenyl)-1h-Pyrazol-3-Yl]pyridine
CID 15428657
2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine
CID 42647299

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-pyrazol-5-yl]pyridine?
The IUPAC name of 2-[4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-pyrazol-5-yl]pyridine (CID 171111559) is 2-[4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-pyrazol-5-yl]pyridine.
What is the SMILES notation for 2-[4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-pyrazol-5-yl]pyridine?
The canonical SMILES for 2-[4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-pyrazol-5-yl]pyridine is CC1(C)OB(C(F)=Cc2cn[nH]c2-c2ccccn2)OC1(C)C.
What is the InChIKey of 2-[4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-pyrazol-5-yl]pyridine?
The InChIKey is BAAUJPXHRZWWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BFN3O2/c1-15(2)16(3,4)23-17(22-15)13(18)9-11-10-20-21-14(11)12-7-5-6-8-19-12/h5-10H,1-4H3,(H,20,21).
What are the key properties of 2-[4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-pyrazol-5-yl]pyridine?
2-[4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-pyrazol-5-yl]pyridine has a molecular weight of 315.16 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-pyrazol-5-yl]pyridine is sourced from PubChem (CID 171111559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).