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

C14H17BFN3O2 — CID 58336789

IUPAC3-fluoro-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine
SMILESCC1(C)OB(c2cnn(-c3cncc(F)c3)c2)OC1(C)C
InChIInChI=1S/C14H17BFN3O2/c1-13(2)14(3,4)21-15(20-13)10-6-18-19(9-10)12-5-11(16)7-17-8-12/h5-9H,1-4H3
InChIKeyDGBJWHHKAGKBLR-UHFFFAOYSA-N
MW289.12 g/mol
LogP1.71
Rot. Bonds2

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

3-fluoro-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine (PubChem CID 58336789) has the molecular formula C14H17BFN3O2 and a molecular weight of 289.12 g/mol. Its IUPAC name is 3-fluoro-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name3-fluoro-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine
PubChem CID58336789
Molecular FormulaC14H17BFN3O2
Molecular Weight289.12 g/mol
Exact Mass289.14
IUPAC Name3-fluoro-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine
SMILESCC1(C)OB(c2cnn(-c3cncc(F)c3)c2)OC1(C)C
InChIInChI=1S/C14H17BFN3O2/c1-13(2)14(3,4)21-15(20-13)10-6-18-19(9-10)12-5-11(16)7-17-8-12/h5-9H,1-4H3
InChIKeyDGBJWHHKAGKBLR-UHFFFAOYSA-N
XLogP1.71
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-fluoro-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-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

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine?
The IUPAC name of 3-fluoro-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine (CID 58336789) is 3-fluoro-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine.
What is the SMILES notation for 3-fluoro-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine?
The canonical SMILES for 3-fluoro-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine is CC1(C)OB(c2cnn(-c3cncc(F)c3)c2)OC1(C)C.
What is the InChIKey of 3-fluoro-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine?
The InChIKey is DGBJWHHKAGKBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BFN3O2/c1-13(2)14(3,4)21-15(20-13)10-6-18-19(9-10)12-5-11(16)7-17-8-12/h5-9H,1-4H3.
What are the key properties of 3-fluoro-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine?
3-fluoro-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine has a molecular weight of 289.12 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine is sourced from PubChem (CID 58336789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).