2-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-6-(1H-pyrazol-4-yl)pyridine

C16H19BFN3O2 — CID 171109979

IUPAC2-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-6-(1H-pyrazol-4-yl)pyridine
SMILESCC1(C)OB(C(F)=Cc2cccc(-c3cn[nH]c3)n2)OC1(C)C
InChIInChI=1S/C16H19BFN3O2/c1-15(2)16(3,4)23-17(22-15)14(18)8-12-6-5-7-13(21-12)11-9-19-20-10-11/h5-10H,1-4H3,(H,19,20)
InChIKeyLGHOGLXAFNJDKP-UHFFFAOYSA-N
MW315.16 g/mol
LogP3.41
Rot. Bonds3

About 2-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-6-(1H-pyrazol-4-yl)pyridine

2-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-6-(1H-pyrazol-4-yl)pyridine (PubChem CID 171109979) has the molecular formula C16H19BFN3O2 and a molecular weight of 315.16 g/mol. Its IUPAC name is 2-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-6-(1H-pyrazol-4-yl)pyridine.

Molecular Properties

Compound Name2-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-6-(1H-pyrazol-4-yl)pyridine
PubChem CID171109979
Molecular FormulaC16H19BFN3O2
Molecular Weight315.16 g/mol
Exact Mass315.16
IUPAC Name2-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-6-(1H-pyrazol-4-yl)pyridine
SMILESCC1(C)OB(C(F)=Cc2cccc(-c3cn[nH]c3)n2)OC1(C)C
InChIInChI=1S/C16H19BFN3O2/c1-15(2)16(3,4)23-17(22-15)14(18)8-12-6-5-7-13(21-12)11-9-19-20-10-11/h5-10H,1-4H3,(H,19,20)
InChIKeyLGHOGLXAFNJDKP-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'}

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Related Compounds

2-(4-(4-Fluorophenyl)-1H-pyrazol-3-yl)-6-methylpyridine
CID 10083602
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
1-(Pyridin-2-ylmethyl)-1H-pyrazole-4-boronic acid, pinacol ester
CID 17999186
N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 70757308
6,7-Dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine
CID 155858898
2-(4-methyl-1H-pyrazol-5-yl)pyridine
CID 17868470
2-Methyl-5-(1H-pyrazol-4-yl)pyridine
CID 67517224
3-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)methyl)pyridine
CID 17999185
4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methylpyridine
CID 22037223
2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylethanamine
CID 22953669
3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylpropan-1-amine
CID 22953768

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-6-(1H-pyrazol-4-yl)pyridine?
The IUPAC name of 2-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-6-(1H-pyrazol-4-yl)pyridine (CID 171109979) is 2-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-6-(1H-pyrazol-4-yl)pyridine.
What is the SMILES notation for 2-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-6-(1H-pyrazol-4-yl)pyridine?
The canonical SMILES for 2-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-6-(1H-pyrazol-4-yl)pyridine is CC1(C)OB(C(F)=Cc2cccc(-c3cn[nH]c3)n2)OC1(C)C.
What is the InChIKey of 2-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-6-(1H-pyrazol-4-yl)pyridine?
The InChIKey is LGHOGLXAFNJDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BFN3O2/c1-15(2)16(3,4)23-17(22-15)14(18)8-12-6-5-7-13(21-12)11-9-19-20-10-11/h5-10H,1-4H3,(H,19,20).
What are the key properties of 2-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-6-(1H-pyrazol-4-yl)pyridine?
2-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-6-(1H-pyrazol-4-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-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-6-(1H-pyrazol-4-yl)pyridine is sourced from PubChem (CID 171109979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).