(7-fluoro-1H-indol-4-yl)boronic acid

C8H7BFNO2 — CID 119085742

IUPAC(7-fluoro-1H-indol-4-yl)boronic acid
SMILESOB(O)c1ccc(F)c2[nH]ccc12
InChIInChI=1S/C8H7BFNO2/c10-7-2-1-6(9(12)13)5-3-4-11-8(5)7/h1-4,11-13H
InChIKeyRASBRQOBJWHUEP-UHFFFAOYSA-N
MW178.96 g/mol
LogP-0.01
Rot. Bonds1

About (7-fluoro-1H-indol-4-yl)boronic acid

(7-fluoro-1H-indol-4-yl)boronic acid (PubChem CID 119085742) has the molecular formula C8H7BFNO2 and a molecular weight of 178.96 g/mol. Its IUPAC name is (7-fluoro-1H-indol-4-yl)boronic acid.

Molecular Properties

Compound Name(7-fluoro-1H-indol-4-yl)boronic acid
PubChem CID119085742
Molecular FormulaC8H7BFNO2
Molecular Weight178.96 g/mol
Exact Mass179.06
IUPAC Name(7-fluoro-1H-indol-4-yl)boronic acid
SMILESOB(O)c1ccc(F)c2[nH]ccc12
InChIInChI=1S/C8H7BFNO2/c10-7-2-1-6(9(12)13)5-3-4-11-8(5)7/h1-4,11-13H
InChIKeyRASBRQOBJWHUEP-UHFFFAOYSA-N
XLogP-0.01
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.96
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluoro-1H-indol-7-yl)ethanone
CID 18519733
ethane;4,5,6,7-tetrafluoro-1H-indole
CID 142246490
6-fluoro-4,7-dimethyl-1H-indole
CID 170176297
4-fluoro-N'-hydroxy-1H-indole-7-carboximidamide
CID 72506348
5-fluoro-4-methyl-1H-indole
CID 19848907
(3-ethylsulfanyl-2,4-difluorophenyl)boronic acid
CID 171366656
4-bromo-5-fluoro-7-methyl-1H-indole
CID 74888584
8-fluoro-5-methyl-2H-isoquinolin-1-one
CID 114517488
ethane;5-fluoro-4-methyl-1H-indole
CID 142062842
(3-borono-4-fluorophenyl)boronic acid
CID 150550580
7-bromo-4-fluoro-1H-indole;4-fluoro-1H-indole-7-carbaldehyde
CID 161166264
(7-fluoro-1H-indol-4-yl) 2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 175751910

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1H-indol-4-yl)boronic acid?
The IUPAC name of (7-fluoro-1H-indol-4-yl)boronic acid (CID 119085742) is (7-fluoro-1H-indol-4-yl)boronic acid.
What is the SMILES notation for (7-fluoro-1H-indol-4-yl)boronic acid?
The canonical SMILES for (7-fluoro-1H-indol-4-yl)boronic acid is OB(O)c1ccc(F)c2[nH]ccc12.
What is the InChIKey of (7-fluoro-1H-indol-4-yl)boronic acid?
The InChIKey is RASBRQOBJWHUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BFNO2/c10-7-2-1-6(9(12)13)5-3-4-11-8(5)7/h1-4,11-13H.
What are the key properties of (7-fluoro-1H-indol-4-yl)boronic acid?
(7-fluoro-1H-indol-4-yl)boronic acid has a molecular weight of 178.96 g/mol, XLogP of -0.01, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-1H-indol-4-yl)boronic acid is sourced from PubChem (CID 119085742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).