5-fluoro-2-[4-(2-hydroxy-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)-1-methylpyrazol-3-yl]pyridine

C15H20BFN3O3- — CID 162760828

IUPAC5-fluoro-2-[4-(2-hydroxy-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)-1-methylpyrazol-3-yl]pyridine
SMILESCn1cc([B-]2(O)OC(C)(C)C(C)(C)O2)c(-c2ccc(F)cn2)n1
InChIInChI=1S/C15H20BFN3O3/c1-14(2)15(3,4)23-16(21,22-14)11-9-20(5)19-13(11)12-7-6-10(17)8-18-12/h6-9,21H,1-5H3/q-1
InChIKeyGQSHVOBTZSKABQ-UHFFFAOYSA-N
MW320.15 g/mol
LogP1.36
Rot. Bonds2

About 5-fluoro-2-[4-(2-hydroxy-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)-1-methylpyrazol-3-yl]pyridine

5-fluoro-2-[4-(2-hydroxy-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)-1-methylpyrazol-3-yl]pyridine (PubChem CID 162760828) has the molecular formula C15H20BFN3O3- and a molecular weight of 320.15 g/mol. Its IUPAC name is 5-fluoro-2-[4-(2-hydroxy-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)-1-methylpyrazol-3-yl]pyridine.

Molecular Properties

Compound Name5-fluoro-2-[4-(2-hydroxy-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)-1-methylpyrazol-3-yl]pyridine
PubChem CID162760828
Molecular FormulaC15H20BFN3O3-
Molecular Weight320.15 g/mol
Exact Mass320.16
IUPAC Name5-fluoro-2-[4-(2-hydroxy-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)-1-methylpyrazol-3-yl]pyridine
SMILESCn1cc([B-]2(O)OC(C)(C)C(C)(C)O2)c(-c2ccc(F)cn2)n1
InChIInChI=1S/C15H20BFN3O3/c1-14(2)15(3,4)23-16(21,22-14)11-9-20(5)19-13(11)12-7-6-10(17)8-18-12/h6-9,21H,1-5H3/q-1
InChIKeyGQSHVOBTZSKABQ-UHFFFAOYSA-N
XLogP1.36
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-fluoro-2-[4-(2-hydroxy-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)-1-methylpyrazol-3-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 5-fluoro-2-[4-(2-hydroxy-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)-1-methylpyrazol-3-yl]pyridine?
The IUPAC name of 5-fluoro-2-[4-(2-hydroxy-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)-1-methylpyrazol-3-yl]pyridine (CID 162760828) is 5-fluoro-2-[4-(2-hydroxy-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)-1-methylpyrazol-3-yl]pyridine.
What is the SMILES notation for 5-fluoro-2-[4-(2-hydroxy-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)-1-methylpyrazol-3-yl]pyridine?
The canonical SMILES for 5-fluoro-2-[4-(2-hydroxy-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)-1-methylpyrazol-3-yl]pyridine is Cn1cc([B-]2(O)OC(C)(C)C(C)(C)O2)c(-c2ccc(F)cn2)n1.
What is the InChIKey of 5-fluoro-2-[4-(2-hydroxy-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)-1-methylpyrazol-3-yl]pyridine?
The InChIKey is GQSHVOBTZSKABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BFN3O3/c1-14(2)15(3,4)23-16(21,22-14)11-9-20(5)19-13(11)12-7-6-10(17)8-18-12/h6-9,21H,1-5H3/q-1.
What are the key properties of 5-fluoro-2-[4-(2-hydroxy-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)-1-methylpyrazol-3-yl]pyridine?
5-fluoro-2-[4-(2-hydroxy-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)-1-methylpyrazol-3-yl]pyridine has a molecular weight of 320.15 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-(2-hydroxy-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)-1-methylpyrazol-3-yl]pyridine is sourced from PubChem (CID 162760828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).