[5-(3-methylbut-3-enoxy)-3-pyridinyl]boronic acid

C10H14BNO3 — CID 114472984

IUPAC[5-(3-methylbut-3-enoxy)-3-pyridinyl]boronic acid
SMILESC=C(C)CCOc1cncc(B(O)O)c1
InChIInChI=1S/C10H14BNO3/c1-8(2)3-4-15-10-5-9(11(13)14)6-12-7-10/h5-7,13-14H,1,3-4H2,2H3
InChIKeyUZTFSANHGVXTLS-UHFFFAOYSA-N
MW207.04 g/mol
LogP0.11
Rot. Bonds5

About [5-(3-methylbut-3-enoxy)-3-pyridinyl]boronic acid

[5-(3-methylbut-3-enoxy)-3-pyridinyl]boronic acid (PubChem CID 114472984) has the molecular formula C10H14BNO3 and a molecular weight of 207.04 g/mol. Its IUPAC name is [5-(3-methylbut-3-enoxy)-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[5-(3-methylbut-3-enoxy)-3-pyridinyl]boronic acid
PubChem CID114472984
Molecular FormulaC10H14BNO3
Molecular Weight207.04 g/mol
Exact Mass207.11
IUPAC Name[5-(3-methylbut-3-enoxy)-3-pyridinyl]boronic acid
SMILESC=C(C)CCOc1cncc(B(O)O)c1
InChIInChI=1S/C10H14BNO3/c1-8(2)3-4-15-10-5-9(11(13)14)6-12-7-10/h5-7,13-14H,1,3-4H2,2H3
InChIKeyUZTFSANHGVXTLS-UHFFFAOYSA-N
XLogP0.11
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.04
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Ispronicline
CID 9824145
5-(5-Methoxy-3-pyridinyl)-N-methyl-4-penten-2-amine, (2S,4E)-
CID 10262406
3-((2S)-2-Azetidinylmethoxy)-5-iodo-pyridine
CID 6604876
3-Methoxypyridine
CID 23719
3-Pyridyl acetate
CID 87289
A-84543
CID 9794141
3-(2-(N,N,N-trimethylammonium)ethoxy)pyridine
CID 9794401
TC-2559
CID 9823180
N-methyl-2-(pyridin-3-yloxy)ethanamine
CID 9793858
N,N-dimethyl-2-(pyridin-3-yloxy)ethanamine
CID 10197862
3-[[(2S)-azetidin-2-yl]methoxy]-5-hex-1-ynylpyridine
CID 9861755
(2R)-1-[(6-chloro-5-methyl-3-pyridinyl)oxy]propan-2-amine
CID 9899128

Frequently Asked Questions

What is the IUPAC name of [5-(3-methylbut-3-enoxy)-3-pyridinyl]boronic acid?
The IUPAC name of [5-(3-methylbut-3-enoxy)-3-pyridinyl]boronic acid (CID 114472984) is [5-(3-methylbut-3-enoxy)-3-pyridinyl]boronic acid.
What is the SMILES notation for [5-(3-methylbut-3-enoxy)-3-pyridinyl]boronic acid?
The canonical SMILES for [5-(3-methylbut-3-enoxy)-3-pyridinyl]boronic acid is C=C(C)CCOc1cncc(B(O)O)c1.
What is the InChIKey of [5-(3-methylbut-3-enoxy)-3-pyridinyl]boronic acid?
The InChIKey is UZTFSANHGVXTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BNO3/c1-8(2)3-4-15-10-5-9(11(13)14)6-12-7-10/h5-7,13-14H,1,3-4H2,2H3.
What are the key properties of [5-(3-methylbut-3-enoxy)-3-pyridinyl]boronic acid?
[5-(3-methylbut-3-enoxy)-3-pyridinyl]boronic acid has a molecular weight of 207.04 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methylbut-3-enoxy)-3-pyridinyl]boronic acid is sourced from PubChem (CID 114472984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).