(5-fluoro-1H-indazol-4-yl)boronic acid

C7H6BFN2O2 — CID 131582484

IUPAC(5-fluoro-1H-indazol-4-yl)boronic acid
SMILESOB(O)c1c(F)ccc2[nH]ncc12
InChIInChI=1S/C7H6BFN2O2/c9-5-1-2-6-4(3-10-11-6)7(5)8(12)13/h1-3,12-13H,(H,10,11)
InChIKeyPTLQAKBNORQWKL-UHFFFAOYSA-N
MW179.95 g/mol
LogP-0.62
Rot. Bonds1

About (5-fluoro-1H-indazol-4-yl)boronic acid

(5-fluoro-1H-indazol-4-yl)boronic acid (PubChem CID 131582484) has the molecular formula C7H6BFN2O2 and a molecular weight of 179.95 g/mol. Its IUPAC name is (5-fluoro-1H-indazol-4-yl)boronic acid.

Molecular Properties

Compound Name(5-fluoro-1H-indazol-4-yl)boronic acid
PubChem CID131582484
Molecular FormulaC7H6BFN2O2
Molecular Weight179.95 g/mol
Exact Mass180.05
IUPAC Name(5-fluoro-1H-indazol-4-yl)boronic acid
SMILESOB(O)c1c(F)ccc2[nH]ncc12
InChIInChI=1S/C7H6BFN2O2/c9-5-1-2-6-4(3-10-11-6)7(5)8(12)13/h1-3,12-13H,(H,10,11)
InChIKeyPTLQAKBNORQWKL-UHFFFAOYSA-N
XLogP-0.62
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.95
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1H-indazol-4-yl)boronic acid?
The IUPAC name of (5-fluoro-1H-indazol-4-yl)boronic acid (CID 131582484) is (5-fluoro-1H-indazol-4-yl)boronic acid.
What is the SMILES notation for (5-fluoro-1H-indazol-4-yl)boronic acid?
The canonical SMILES for (5-fluoro-1H-indazol-4-yl)boronic acid is OB(O)c1c(F)ccc2[nH]ncc12.
What is the InChIKey of (5-fluoro-1H-indazol-4-yl)boronic acid?
The InChIKey is PTLQAKBNORQWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BFN2O2/c9-5-1-2-6-4(3-10-11-6)7(5)8(12)13/h1-3,12-13H,(H,10,11).
What are the key properties of (5-fluoro-1H-indazol-4-yl)boronic acid?
(5-fluoro-1H-indazol-4-yl)boronic acid has a molecular weight of 179.95 g/mol, XLogP of -0.62, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1H-indazol-4-yl)boronic acid is sourced from PubChem (CID 131582484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).