[6-fluoro-5-methyl-1-(oxan-2-yl)indazol-3-yl]boronic acid

C13H16BFN2O3 — CID 167350869

IUPAC[6-fluoro-5-methyl-1-(oxan-2-yl)indazol-3-yl]boronic acid
SMILESCc1cc2c(B(O)O)nn(C3CCCCO3)c2cc1F
InChIInChI=1S/C13H16BFN2O3/c1-8-6-9-11(7-10(8)15)17(16-13(9)14(18)19)12-4-2-3-5-20-12/h6-7,12,18-19H,2-5H2,1H3
InChIKeyWHIUNVNIAOJWDY-UHFFFAOYSA-N
MW278.09 g/mol
LogP0.86
Rot. Bonds2

About [6-fluoro-5-methyl-1-(oxan-2-yl)indazol-3-yl]boronic acid

[6-fluoro-5-methyl-1-(oxan-2-yl)indazol-3-yl]boronic acid (PubChem CID 167350869) has the molecular formula C13H16BFN2O3 and a molecular weight of 278.09 g/mol. Its IUPAC name is [6-fluoro-5-methyl-1-(oxan-2-yl)indazol-3-yl]boronic acid.

Molecular Properties

Compound Name[6-fluoro-5-methyl-1-(oxan-2-yl)indazol-3-yl]boronic acid
PubChem CID167350869
Molecular FormulaC13H16BFN2O3
Molecular Weight278.09 g/mol
Exact Mass278.12
IUPAC Name[6-fluoro-5-methyl-1-(oxan-2-yl)indazol-3-yl]boronic acid
SMILESCc1cc2c(B(O)O)nn(C3CCCCO3)c2cc1F
InChIInChI=1S/C13H16BFN2O3/c1-8-6-9-11(7-10(8)15)17(16-13(9)14(18)19)12-4-2-3-5-20-12/h6-7,12,18-19H,2-5H2,1H3
InChIKeyWHIUNVNIAOJWDY-UHFFFAOYSA-N
XLogP0.86
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.09
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [6-fluoro-5-methyl-1-(oxan-2-yl)indazol-3-yl]boronic acid 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 [6-fluoro-5-methyl-1-(oxan-2-yl)indazol-3-yl]boronic acid?
The IUPAC name of [6-fluoro-5-methyl-1-(oxan-2-yl)indazol-3-yl]boronic acid (CID 167350869) is [6-fluoro-5-methyl-1-(oxan-2-yl)indazol-3-yl]boronic acid.
What is the SMILES notation for [6-fluoro-5-methyl-1-(oxan-2-yl)indazol-3-yl]boronic acid?
The canonical SMILES for [6-fluoro-5-methyl-1-(oxan-2-yl)indazol-3-yl]boronic acid is Cc1cc2c(B(O)O)nn(C3CCCCO3)c2cc1F.
What is the InChIKey of [6-fluoro-5-methyl-1-(oxan-2-yl)indazol-3-yl]boronic acid?
The InChIKey is WHIUNVNIAOJWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BFN2O3/c1-8-6-9-11(7-10(8)15)17(16-13(9)14(18)19)12-4-2-3-5-20-12/h6-7,12,18-19H,2-5H2,1H3.
What are the key properties of [6-fluoro-5-methyl-1-(oxan-2-yl)indazol-3-yl]boronic acid?
[6-fluoro-5-methyl-1-(oxan-2-yl)indazol-3-yl]boronic acid has a molecular weight of 278.09 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-5-methyl-1-(oxan-2-yl)indazol-3-yl]boronic acid is sourced from PubChem (CID 167350869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).