(5-cyclobutyl-3-pyridinyl)boronic acid

C9H12BNO2 — CID 66520453

IUPAC(5-cyclobutyl-3-pyridinyl)boronic acid
SMILESOB(O)c1cncc(C2CCC2)c1
InChIInChI=1S/C9H12BNO2/c12-10(13)9-4-8(5-11-6-9)7-2-1-3-7/h4-7,12-13H,1-3H2
InChIKeyNWCJWOGCDNEDNR-UHFFFAOYSA-N
MW177.01 g/mol
LogP0.03
Rot. Bonds2

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

(5-cyclobutyl-3-pyridinyl)boronic acid (PubChem CID 66520453) has the molecular formula C9H12BNO2 and a molecular weight of 177.01 g/mol. Its IUPAC name is (5-cyclobutyl-3-pyridinyl)boronic acid.

Molecular Properties

Compound Name(5-cyclobutyl-3-pyridinyl)boronic acid
PubChem CID66520453
Molecular FormulaC9H12BNO2
Molecular Weight177.01 g/mol
Exact Mass177.10
IUPAC Name(5-cyclobutyl-3-pyridinyl)boronic acid
SMILESOB(O)c1cncc(C2CCC2)c1
InChIInChI=1S/C9H12BNO2/c12-10(13)9-4-8(5-11-6-9)7-2-1-3-7/h4-7,12-13H,1-3H2
InChIKeyNWCJWOGCDNEDNR-UHFFFAOYSA-N
XLogP0.03
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.01
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-cyclobutyl-3-pyridinyl)boronic acid?
The IUPAC name of (5-cyclobutyl-3-pyridinyl)boronic acid (CID 66520453) is (5-cyclobutyl-3-pyridinyl)boronic acid.
What is the SMILES notation for (5-cyclobutyl-3-pyridinyl)boronic acid?
The canonical SMILES for (5-cyclobutyl-3-pyridinyl)boronic acid is OB(O)c1cncc(C2CCC2)c1.
What is the InChIKey of (5-cyclobutyl-3-pyridinyl)boronic acid?
The InChIKey is NWCJWOGCDNEDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BNO2/c12-10(13)9-4-8(5-11-6-9)7-2-1-3-7/h4-7,12-13H,1-3H2.
What are the key properties of (5-cyclobutyl-3-pyridinyl)boronic acid?
(5-cyclobutyl-3-pyridinyl)boronic acid has a molecular weight of 177.01 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclobutyl-3-pyridinyl)boronic acid is sourced from PubChem (CID 66520453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).