[6-(4-butylphenyl)-2-fluoro-3-pyridinyl]boronic acid

C15H17BFNO2 — CID 18172819

IUPAC[6-(4-butylphenyl)-2-fluoro-3-pyridinyl]boronic acid
SMILESCCCCc1ccc(-c2ccc(B(O)O)c(F)n2)cc1
InChIInChI=1S/C15H17BFNO2/c1-2-3-4-11-5-7-12(8-6-11)14-10-9-13(16(19)20)15(17)18-14/h5-10,19-20H,2-4H2,1H3
InChIKeyIXJYLGPHVWFSIY-UHFFFAOYSA-N
MW273.12 g/mol
LogP1.91
Rot. Bonds5

About [6-(4-butylphenyl)-2-fluoro-3-pyridinyl]boronic acid

[6-(4-butylphenyl)-2-fluoro-3-pyridinyl]boronic acid (PubChem CID 18172819) has the molecular formula C15H17BFNO2 and a molecular weight of 273.12 g/mol. Its IUPAC name is [6-(4-butylphenyl)-2-fluoro-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[6-(4-butylphenyl)-2-fluoro-3-pyridinyl]boronic acid
PubChem CID18172819
Molecular FormulaC15H17BFNO2
Molecular Weight273.12 g/mol
Exact Mass273.13
IUPAC Name[6-(4-butylphenyl)-2-fluoro-3-pyridinyl]boronic acid
SMILESCCCCc1ccc(-c2ccc(B(O)O)c(F)n2)cc1
InChIInChI=1S/C15H17BFNO2/c1-2-3-4-11-5-7-12(8-6-11)14-10-9-13(16(19)20)15(17)18-14/h5-10,19-20H,2-4H2,1H3
InChIKeyIXJYLGPHVWFSIY-UHFFFAOYSA-N
XLogP1.91
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[2-fluoro-6-(4-pentylphenyl)-3-pyridinyl]boronic acid
CID 18172823
2-fluoro-3-(4-heptylphenyl)-6-(4-nonylphenyl)pyridine
CID 18172843
2-fluoro-3-heptyl-6-[4-(4-heptylphenyl)phenyl]pyridine
CID 91063743
3-decyl-2-fluoro-6-[4-(4-hexylphenyl)phenyl]pyridine
CID 91526476
2-fluoro-6-(4-heptylphenyl)pyridine
CID 18172851
(2-fluoro-4-pentylphenyl)boronic acid
CID 54278063
[4-(4-butyl-N-(4-butylphenyl)anilino)phenyl]boronic acid
CID 86093540
3-[4-(4-butylphenyl)phenyl]-2,5,6-trifluoropyridine
CID 23190501
(4-butylphenyl)-hydroxyborinate
CID 163699076
4-(6-pentylquinolin-2-yl)phenol
CID 135525498
6-decyl-2-fluoro-3-[4-(4-octylphenyl)phenyl]pyridine
CID 90821137
5-(4-butylphenyl)pyrazine-2-carboxylic acid
CID 15919161

Frequently Asked Questions

What is the IUPAC name of [6-(4-butylphenyl)-2-fluoro-3-pyridinyl]boronic acid?
The IUPAC name of [6-(4-butylphenyl)-2-fluoro-3-pyridinyl]boronic acid (CID 18172819) is [6-(4-butylphenyl)-2-fluoro-3-pyridinyl]boronic acid.
What is the SMILES notation for [6-(4-butylphenyl)-2-fluoro-3-pyridinyl]boronic acid?
The canonical SMILES for [6-(4-butylphenyl)-2-fluoro-3-pyridinyl]boronic acid is CCCCc1ccc(-c2ccc(B(O)O)c(F)n2)cc1.
What is the InChIKey of [6-(4-butylphenyl)-2-fluoro-3-pyridinyl]boronic acid?
The InChIKey is IXJYLGPHVWFSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BFNO2/c1-2-3-4-11-5-7-12(8-6-11)14-10-9-13(16(19)20)15(17)18-14/h5-10,19-20H,2-4H2,1H3.
What are the key properties of [6-(4-butylphenyl)-2-fluoro-3-pyridinyl]boronic acid?
[6-(4-butylphenyl)-2-fluoro-3-pyridinyl]boronic acid has a molecular weight of 273.12 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-butylphenyl)-2-fluoro-3-pyridinyl]boronic acid is sourced from PubChem (CID 18172819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).