[6-(4-prop-2-enylphenyl)-3-pyridinyl]boronic acid

C14H14BNO2 — CID 67672609

IUPAC[6-(4-prop-2-enylphenyl)-3-pyridinyl]boronic acid
SMILESC=CCc1ccc(-c2ccc(B(O)O)cn2)cc1
InChIInChI=1S/C14H14BNO2/c1-2-3-11-4-6-12(7-5-11)14-9-8-13(10-16-14)15(17)18/h2,4-10,17-18H,1,3H2
InChIKeyRCLPRMXYTUPCDT-UHFFFAOYSA-N
MW239.08 g/mol
LogP1.16
Rot. Bonds4

About [6-(4-prop-2-enylphenyl)-3-pyridinyl]boronic acid

[6-(4-prop-2-enylphenyl)-3-pyridinyl]boronic acid (PubChem CID 67672609) has the molecular formula C14H14BNO2 and a molecular weight of 239.08 g/mol. Its IUPAC name is [6-(4-prop-2-enylphenyl)-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[6-(4-prop-2-enylphenyl)-3-pyridinyl]boronic acid
PubChem CID67672609
Molecular FormulaC14H14BNO2
Molecular Weight239.08 g/mol
Exact Mass239.11
IUPAC Name[6-(4-prop-2-enylphenyl)-3-pyridinyl]boronic acid
SMILESC=CCc1ccc(-c2ccc(B(O)O)cn2)cc1
InChIInChI=1S/C14H14BNO2/c1-2-3-11-4-6-12(7-5-11)14-9-8-13(10-16-14)15(17)18/h2,4-10,17-18H,1,3H2
InChIKeyRCLPRMXYTUPCDT-UHFFFAOYSA-N
XLogP1.16
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.08
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[6-[4-(aminomethyl)phenyl]-3-pyridinyl]boronic acid
CID 150578069
(4-prop-2-enylphenyl)boronic acid
CID 21186363
6-(4-prop-2-enylphenyl)pyridine-3-carbonitrile
CID 69230670
2-(4-prop-2-enylphenyl)pyrazine
CID 90916121
bis(1-prop-2-enyl-4-(4-prop-2-enylphenyl)benzene);hydrate
CID 174815878
7-[6-[4-(4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
CID 70263352
7-[4-[5-(4-prop-2-enylphenyl)-2-pyridinyl]phenyl]hept-6-en-2-ol
CID 70262911
[6-(1,3-thiazol-5-yl)-3-pyridinyl]boronic acid
CID 164662483
2-(4-bromophenyl)-5-but-3-enylpyridine
CID 5145224
4-prop-2-enyl-N-(4-prop-2-enylphenyl)-N-[4-[4-(4-prop-2-enyl-N-(4-prop-2-enylphenyl)anilino)phenyl]phenyl]aniline
CID 58113467
(E)-7-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol
CID 70264345
(E)-7-[5-(4-prop-2-enylphenyl)pyrazin-2-yl]hept-6-en-2-ol
CID 70263498

Frequently Asked Questions

What is the IUPAC name of [6-(4-prop-2-enylphenyl)-3-pyridinyl]boronic acid?
The IUPAC name of [6-(4-prop-2-enylphenyl)-3-pyridinyl]boronic acid (CID 67672609) is [6-(4-prop-2-enylphenyl)-3-pyridinyl]boronic acid.
What is the SMILES notation for [6-(4-prop-2-enylphenyl)-3-pyridinyl]boronic acid?
The canonical SMILES for [6-(4-prop-2-enylphenyl)-3-pyridinyl]boronic acid is C=CCc1ccc(-c2ccc(B(O)O)cn2)cc1.
What is the InChIKey of [6-(4-prop-2-enylphenyl)-3-pyridinyl]boronic acid?
The InChIKey is RCLPRMXYTUPCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BNO2/c1-2-3-11-4-6-12(7-5-11)14-9-8-13(10-16-14)15(17)18/h2,4-10,17-18H,1,3H2.
What are the key properties of [6-(4-prop-2-enylphenyl)-3-pyridinyl]boronic acid?
[6-(4-prop-2-enylphenyl)-3-pyridinyl]boronic acid has a molecular weight of 239.08 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-prop-2-enylphenyl)-3-pyridinyl]boronic acid is sourced from PubChem (CID 67672609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).