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

C14H17BFN3O2 — CID 171111239

IUPAC2-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC1(C)OB(C(F)=Cc2nc3ccccn3n2)OC1(C)C
InChIInChI=1S/C14H17BFN3O2/c1-13(2)14(3,4)21-15(20-13)10(16)9-11-17-12-7-5-6-8-19(12)18-11/h5-9H,1-4H3
InChIKeyHQWYDUIOZRWYPN-UHFFFAOYSA-N
MW289.12 g/mol
LogP2.67
Rot. Bonds2

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

2-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 171111239) has the molecular formula C14H17BFN3O2 and a molecular weight of 289.12 g/mol. Its IUPAC name is 2-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID171111239
Molecular FormulaC14H17BFN3O2
Molecular Weight289.12 g/mol
Exact Mass289.14
IUPAC Name2-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC1(C)OB(C(F)=Cc2nc3ccccn3n2)OC1(C)C
InChIInChI=1S/C14H17BFN3O2/c1-13(2)14(3,4)21-15(20-13)10(16)9-11-17-12-7-5-6-8-19(12)18-11/h5-9H,1-4H3
InChIKeyHQWYDUIOZRWYPN-UHFFFAOYSA-N
XLogP2.67
TPSA48.65 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 ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1,2,4)Triazolo(1,5-a)pyridine
CID 67508
3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo(1,2-a)pyridine
CID 25000396
6-(Tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo(1,2-a)pyridine
CID 49758472
Imidazo[1,2-a]pyridin-7-ylboronic acid pinacol ester
CID 49758473
6-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 58446374
3-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,4-triazolo[4,3-a]pyridine
CID 58579651
1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 59534722
3-methyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-[1,2,3]triazolo[4,5-b]pyridine
CID 59620071
2-(4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)pyridine
CID 66521245
2-Chloro-[1,2,4]triazolo[1,5-a]pyridine
CID 69394557
2-Methyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine
CID 71237930
2-Iodo-(1,2,4)triazolo(1,5-a)pyridine
CID 73425021

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]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 171111239) is 2-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine is CC1(C)OB(C(F)=Cc2nc3ccccn3n2)OC1(C)C.
What is the InChIKey of 2-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is HQWYDUIOZRWYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BFN3O2/c1-13(2)14(3,4)21-15(20-13)10(16)9-11-17-12-7-5-6-8-19(12)18-11/h5-9H,1-4H3.
What are the key properties of 2-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine?
2-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 289.12 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 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]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 171111239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).