(5-cyclobutyloxy-3-pyridinyl)boronic acid

C9H12BNO3 — CID 66521116

IUPAC(5-cyclobutyloxy-3-pyridinyl)boronic acid
SMILESOB(O)c1cncc(OC2CCC2)c1
InChIInChI=1S/C9H12BNO3/c12-10(13)7-4-9(6-11-5-7)14-8-2-1-3-8/h4-6,8,12-13H,1-3H2
InChIKeySRTSMSGRUQKZOI-UHFFFAOYSA-N
MW193.01 g/mol
LogP-0.31
Rot. Bonds3

About (5-cyclobutyloxy-3-pyridinyl)boronic acid

(5-cyclobutyloxy-3-pyridinyl)boronic acid (PubChem CID 66521116) has the molecular formula C9H12BNO3 and a molecular weight of 193.01 g/mol. Its IUPAC name is (5-cyclobutyloxy-3-pyridinyl)boronic acid.

Molecular Properties

Compound Name(5-cyclobutyloxy-3-pyridinyl)boronic acid
PubChem CID66521116
Molecular FormulaC9H12BNO3
Molecular Weight193.01 g/mol
Exact Mass193.09
IUPAC Name(5-cyclobutyloxy-3-pyridinyl)boronic acid
SMILESOB(O)c1cncc(OC2CCC2)c1
InChIInChI=1S/C9H12BNO3/c12-10(13)7-4-9(6-11-5-7)14-8-2-1-3-8/h4-6,8,12-13H,1-3H2
InChIKeySRTSMSGRUQKZOI-UHFFFAOYSA-N
XLogP-0.31
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.01
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-cyclopentyloxy-5-fluorophenyl)boronic acid
CID 81332075
3-cyclobutyloxy-5-methylpyridine
CID 130057239
5-cyclohexyloxypyridin-3-amine
CID 104536072
(5-cyclobutyl-3-pyridinyl)boronic acid
CID 66520453
(4-cyclopentyloxyphenyl)boronic acid
CID 23005412
(6-cyclobutyloxynaphthalen-2-yl)boronic acid
CID 140913385
[5-[4-[(5-borono-3-pyridinyl)oxy]but-2-enoxy]-3-pyridinyl]boronic acid
CID 70960856
[5-[(5-methyloxolan-2-yl)methoxy]-3-pyridinyl]boronic acid
CID 103135576
3-(5-cycloheptyloxy-3-pyridinyl)prop-2-yn-1-ol
CID 82922577
3-cycloheptyloxypyridine
CID 112558615
5-cyclohexyloxy-N-propylpyridin-3-amine
CID 104536075
3-(3-chloroprop-1-ynyl)-5-cycloheptyloxypyridine
CID 82923291

Frequently Asked Questions

What is the IUPAC name of (5-cyclobutyloxy-3-pyridinyl)boronic acid?
The IUPAC name of (5-cyclobutyloxy-3-pyridinyl)boronic acid (CID 66521116) is (5-cyclobutyloxy-3-pyridinyl)boronic acid.
What is the SMILES notation for (5-cyclobutyloxy-3-pyridinyl)boronic acid?
The canonical SMILES for (5-cyclobutyloxy-3-pyridinyl)boronic acid is OB(O)c1cncc(OC2CCC2)c1.
What is the InChIKey of (5-cyclobutyloxy-3-pyridinyl)boronic acid?
The InChIKey is SRTSMSGRUQKZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BNO3/c12-10(13)7-4-9(6-11-5-7)14-8-2-1-3-8/h4-6,8,12-13H,1-3H2.
What are the key properties of (5-cyclobutyloxy-3-pyridinyl)boronic acid?
(5-cyclobutyloxy-3-pyridinyl)boronic acid has a molecular weight of 193.01 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclobutyloxy-3-pyridinyl)boronic acid is sourced from PubChem (CID 66521116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).