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

C16H19BFNO2 — CID 18172823

IUPAC[2-fluoro-6-(4-pentylphenyl)-3-pyridinyl]boronic acid
SMILESCCCCCc1ccc(-c2ccc(B(O)O)c(F)n2)cc1
InChIInChI=1S/C16H19BFNO2/c1-2-3-4-5-12-6-8-13(9-7-12)15-11-10-14(17(20)21)16(18)19-15/h6-11,20-21H,2-5H2,1H3
InChIKeyDLPFZJGZYLRQQW-UHFFFAOYSA-N
MW287.14 g/mol
LogP2.30
Rot. Bonds6

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

[2-fluoro-6-(4-pentylphenyl)-3-pyridinyl]boronic acid (PubChem CID 18172823) has the molecular formula C16H19BFNO2 and a molecular weight of 287.14 g/mol. Its IUPAC name is [2-fluoro-6-(4-pentylphenyl)-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[2-fluoro-6-(4-pentylphenyl)-3-pyridinyl]boronic acid
PubChem CID18172823
Molecular FormulaC16H19BFNO2
Molecular Weight287.14 g/mol
Exact Mass287.15
IUPAC Name[2-fluoro-6-(4-pentylphenyl)-3-pyridinyl]boronic acid
SMILESCCCCCc1ccc(-c2ccc(B(O)O)c(F)n2)cc1
InChIInChI=1S/C16H19BFNO2/c1-2-3-4-5-12-6-8-13(9-7-12)15-11-10-14(17(20)21)16(18)19-15/h6-11,20-21H,2-5H2,1H3
InChIKeyDLPFZJGZYLRQQW-UHFFFAOYSA-N
XLogP2.30
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[6-(4-butylphenyl)-2-fluoro-3-pyridinyl]boronic acid
CID 18172819
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-(6-pentylquinolin-2-yl)phenol
CID 135525498
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
2-fluoro-6-heptyl-3-[4-(4-octylphenyl)phenyl]pyridine
CID 91388044
6-decyl-2-fluoro-3-[4-(4-octylphenyl)phenyl]pyridine
CID 90821137
2-(4-hexylphenyl)quinoline;iridium(3+)
CID 161040240
1-octyl-4-(4-octylphenyl)benzene
CID 22766415

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-(4-pentylphenyl)-3-pyridinyl]boronic acid?
The IUPAC name of [2-fluoro-6-(4-pentylphenyl)-3-pyridinyl]boronic acid (CID 18172823) is [2-fluoro-6-(4-pentylphenyl)-3-pyridinyl]boronic acid.
What is the SMILES notation for [2-fluoro-6-(4-pentylphenyl)-3-pyridinyl]boronic acid?
The canonical SMILES for [2-fluoro-6-(4-pentylphenyl)-3-pyridinyl]boronic acid is CCCCCc1ccc(-c2ccc(B(O)O)c(F)n2)cc1.
What is the InChIKey of [2-fluoro-6-(4-pentylphenyl)-3-pyridinyl]boronic acid?
The InChIKey is DLPFZJGZYLRQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BFNO2/c1-2-3-4-5-12-6-8-13(9-7-12)15-11-10-14(17(20)21)16(18)19-15/h6-11,20-21H,2-5H2,1H3.
What are the key properties of [2-fluoro-6-(4-pentylphenyl)-3-pyridinyl]boronic acid?
[2-fluoro-6-(4-pentylphenyl)-3-pyridinyl]boronic acid has a molecular weight of 287.14 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-6-(4-pentylphenyl)-3-pyridinyl]boronic acid is sourced from PubChem (CID 18172823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).