(3-formyl-2-pyridinyl)boronic acid

C6H6BNO3 — CID 130822828

IUPAC(3-formyl-2-pyridinyl)boronic acid
SMILESO=Cc1cccnc1B(O)O
InChIInChI=1S/C6H6BNO3/c9-4-5-2-1-3-8-6(5)7(10)11/h1-4,10-11H
InChIKeyKAEJKFCLHNKYPZ-UHFFFAOYSA-N
MW150.93 g/mol
LogP-1.43
Rot. Bonds2

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

(3-formyl-2-pyridinyl)boronic acid (PubChem CID 130822828) has the molecular formula C6H6BNO3 and a molecular weight of 150.93 g/mol. Its IUPAC name is (3-formyl-2-pyridinyl)boronic acid.

Molecular Properties

Compound Name(3-formyl-2-pyridinyl)boronic acid
PubChem CID130822828
Molecular FormulaC6H6BNO3
Molecular Weight150.93 g/mol
Exact Mass151.04
IUPAC Name(3-formyl-2-pyridinyl)boronic acid
SMILESO=Cc1cccnc1B(O)O
InChIInChI=1S/C6H6BNO3/c9-4-5-2-1-3-8-6(5)7(10)11/h1-4,10-11H
InChIKeyKAEJKFCLHNKYPZ-UHFFFAOYSA-N
XLogP-1.43
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.93
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-formyl-2-pyridinyl)boronic acid?
The IUPAC name of (3-formyl-2-pyridinyl)boronic acid (CID 130822828) is (3-formyl-2-pyridinyl)boronic acid.
What is the SMILES notation for (3-formyl-2-pyridinyl)boronic acid?
The canonical SMILES for (3-formyl-2-pyridinyl)boronic acid is O=Cc1cccnc1B(O)O.
What is the InChIKey of (3-formyl-2-pyridinyl)boronic acid?
The InChIKey is KAEJKFCLHNKYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BNO3/c9-4-5-2-1-3-8-6(5)7(10)11/h1-4,10-11H.
What are the key properties of (3-formyl-2-pyridinyl)boronic acid?
(3-formyl-2-pyridinyl)boronic acid has a molecular weight of 150.93 g/mol, XLogP of -1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-formyl-2-pyridinyl)boronic acid is sourced from PubChem (CID 130822828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).