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

C16H21BFN3O2 — CID 175060869

IUPAC2-fluoro-6-[[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]pyridine
SMILESCc1nn(Cc2cccc(F)n2)cc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H21BFN3O2/c1-11-13(17-22-15(2,3)16(4,5)23-17)10-21(20-11)9-12-7-6-8-14(18)19-12/h6-8,10H,9H2,1-5H3
InChIKeySGHFTEDXMYEXSX-UHFFFAOYSA-N
MW317.17 g/mol
LogP2.07
Rot. Bonds3

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

2-fluoro-6-[[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]pyridine (PubChem CID 175060869) has the molecular formula C16H21BFN3O2 and a molecular weight of 317.17 g/mol. Its IUPAC name is 2-fluoro-6-[[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-fluoro-6-[[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]pyridine
PubChem CID175060869
Molecular FormulaC16H21BFN3O2
Molecular Weight317.17 g/mol
Exact Mass317.17
IUPAC Name2-fluoro-6-[[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]pyridine
SMILESCc1nn(Cc2cccc(F)n2)cc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H21BFN3O2/c1-11-13(17-22-15(2,3)16(4,5)23-17)10-21(20-11)9-12-7-6-8-14(18)19-12/h6-8,10H,9H2,1-5H3
InChIKeySGHFTEDXMYEXSX-UHFFFAOYSA-N
XLogP2.07
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-fluoro-6-[[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]pyridine?
The IUPAC name of 2-fluoro-6-[[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]pyridine (CID 175060869) is 2-fluoro-6-[[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]pyridine.
What is the SMILES notation for 2-fluoro-6-[[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]pyridine?
The canonical SMILES for 2-fluoro-6-[[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]pyridine is Cc1nn(Cc2cccc(F)n2)cc1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-fluoro-6-[[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]pyridine?
The InChIKey is SGHFTEDXMYEXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BFN3O2/c1-11-13(17-22-15(2,3)16(4,5)23-17)10-21(20-11)9-12-7-6-8-14(18)19-12/h6-8,10H,9H2,1-5H3.
What are the key properties of 2-fluoro-6-[[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]pyridine?
2-fluoro-6-[[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]pyridine has a molecular weight of 317.17 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]pyridine is sourced from PubChem (CID 175060869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).