(5-fluoro-1H-indazol-7-yl)boronic acid

C7H6BFN2O2 — CID 135396775

IUPAC(5-fluoro-1H-indazol-7-yl)boronic acid
SMILESOB(O)c1cc(F)cc2cn[nH]c12
InChIInChI=1S/C7H6BFN2O2/c9-5-1-4-3-10-11-7(4)6(2-5)8(12)13/h1-3,12-13H,(H,10,11)
InChIKeyDAQKKJDGIUOMQB-UHFFFAOYSA-N
MW179.95 g/mol
LogP-0.62
Rot. Bonds1

About (5-fluoro-1H-indazol-7-yl)boronic acid

(5-fluoro-1H-indazol-7-yl)boronic acid (PubChem CID 135396775) has the molecular formula C7H6BFN2O2 and a molecular weight of 179.95 g/mol. Its IUPAC name is (5-fluoro-1H-indazol-7-yl)boronic acid.

Molecular Properties

Compound Name(5-fluoro-1H-indazol-7-yl)boronic acid
PubChem CID135396775
Molecular FormulaC7H6BFN2O2
Molecular Weight179.95 g/mol
Exact Mass180.05
IUPAC Name(5-fluoro-1H-indazol-7-yl)boronic acid
SMILESOB(O)c1cc(F)cc2cn[nH]c12
InChIInChI=1S/C7H6BFN2O2/c9-5-1-4-3-10-11-7(4)6(2-5)8(12)13/h1-3,12-13H,(H,10,11)
InChIKeyDAQKKJDGIUOMQB-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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Related Compounds

5-fluoro-1H-indazole-7-carboxylic acid
CID 76846417
(5-fluoro-1H-indazol-7-yl) acetate
CID 174564145
7-chloro-5-methylsulfanyl-1H-indazole
CID 167025504
(5-ethyl-1H-indazol-6-yl)boronic acid
CID 175075501
(5-methoxy-1H-indazol-6-yl)boronic acid
CID 99942155
(5-borono-2,6-difluoro-3-pyridinyl)boronic acid
CID 163276200
(5-methyl-1H-indazol-7-yl)methanol
CID 76846426
6-fluoro-1H-indazole-4-carboxylic acid
CID 24728354
7-(3-fluorophenyl)-1H-pyrazolo[4,3-c]pyridine
CID 165469424
CID 176998352
CID 176998352
(2-chloro-5-fluoro-3-methylphenyl)boronic acid
CID 124706970
(3-fluoro-5-methylphenyl)boronic acid
CID 19261265

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1H-indazol-7-yl)boronic acid?
The IUPAC name of (5-fluoro-1H-indazol-7-yl)boronic acid (CID 135396775) is (5-fluoro-1H-indazol-7-yl)boronic acid.
What is the SMILES notation for (5-fluoro-1H-indazol-7-yl)boronic acid?
The canonical SMILES for (5-fluoro-1H-indazol-7-yl)boronic acid is OB(O)c1cc(F)cc2cn[nH]c12.
What is the InChIKey of (5-fluoro-1H-indazol-7-yl)boronic acid?
The InChIKey is DAQKKJDGIUOMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BFN2O2/c9-5-1-4-3-10-11-7(4)6(2-5)8(12)13/h1-3,12-13H,(H,10,11).
What are the key properties of (5-fluoro-1H-indazol-7-yl)boronic acid?
(5-fluoro-1H-indazol-7-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-7-yl)boronic acid is sourced from PubChem (CID 135396775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).