(2-butoxy-3-pyridinyl)boronic acid

C9H14BNO3 — CID 56776625

IUPAC(2-butoxy-3-pyridinyl)boronic acid
SMILESCCCCOc1ncccc1B(O)O
InChIInChI=1S/C9H14BNO3/c1-2-3-7-14-9-8(10(12)13)5-4-6-11-9/h4-6,12-13H,2-3,7H2,1H3
InChIKeyBBNRJMXGAUGFKQ-UHFFFAOYSA-N
MW195.03 g/mol
LogP-0.06
Rot. Bonds5

About (2-butoxy-3-pyridinyl)boronic acid

(2-butoxy-3-pyridinyl)boronic acid (PubChem CID 56776625) has the molecular formula C9H14BNO3 and a molecular weight of 195.03 g/mol. Its IUPAC name is (2-butoxy-3-pyridinyl)boronic acid.

Molecular Properties

Compound Name(2-butoxy-3-pyridinyl)boronic acid
PubChem CID56776625
Molecular FormulaC9H14BNO3
Molecular Weight195.03 g/mol
Exact Mass195.11
IUPAC Name(2-butoxy-3-pyridinyl)boronic acid
SMILESCCCCOc1ncccc1B(O)O
InChIInChI=1S/C9H14BNO3/c1-2-3-7-14-9-8(10(12)13)5-4-6-11-9/h4-6,12-13H,2-3,7H2,1H3
InChIKeyBBNRJMXGAUGFKQ-UHFFFAOYSA-N
XLogP-0.06
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.03
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-butoxy-3-pyridinyl)boronic acid?
The IUPAC name of (2-butoxy-3-pyridinyl)boronic acid (CID 56776625) is (2-butoxy-3-pyridinyl)boronic acid.
What is the SMILES notation for (2-butoxy-3-pyridinyl)boronic acid?
The canonical SMILES for (2-butoxy-3-pyridinyl)boronic acid is CCCCOc1ncccc1B(O)O.
What is the InChIKey of (2-butoxy-3-pyridinyl)boronic acid?
The InChIKey is BBNRJMXGAUGFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BNO3/c1-2-3-7-14-9-8(10(12)13)5-4-6-11-9/h4-6,12-13H,2-3,7H2,1H3.
What are the key properties of (2-butoxy-3-pyridinyl)boronic acid?
(2-butoxy-3-pyridinyl)boronic acid has a molecular weight of 195.03 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butoxy-3-pyridinyl)boronic acid is sourced from PubChem (CID 56776625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).