(4-methoxy-3-pyridinyl)boronic acid

C6H8BNO3 — CID 2762556

IUPAC(4-methoxy-3-pyridinyl)boronic acid
SMILESCOc1ccncc1B(O)O
InChIInChI=1S/C6H8BNO3/c1-11-6-2-3-8-4-5(6)7(9)10/h2-4,9-10H,1H3
InChIKeyYUTPAZKVEOJQCY-UHFFFAOYSA-N
MW152.95 g/mol
LogP-1.23
Rot. Bonds2

About (4-methoxy-3-pyridinyl)boronic acid

(4-methoxy-3-pyridinyl)boronic acid (PubChem CID 2762556) has the molecular formula C6H8BNO3 and a molecular weight of 152.95 g/mol. Its IUPAC name is (4-methoxy-3-pyridinyl)boronic acid.

Molecular Properties

Compound Name(4-methoxy-3-pyridinyl)boronic acid
PubChem CID2762556
Molecular FormulaC6H8BNO3
Molecular Weight152.95 g/mol
Exact Mass153.06
IUPAC Name(4-methoxy-3-pyridinyl)boronic acid
SMILESCOc1ccncc1B(O)O
InChIInChI=1S/C6H8BNO3/c1-11-6-2-3-8-4-5(6)7(9)10/h2-4,9-10H,1H3
InChIKeyYUTPAZKVEOJQCY-UHFFFAOYSA-N
XLogP-1.23
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.95
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (4-methoxy-3-pyridinyl)boronic acid?
The IUPAC name of (4-methoxy-3-pyridinyl)boronic acid (CID 2762556) is (4-methoxy-3-pyridinyl)boronic acid.
What is the SMILES notation for (4-methoxy-3-pyridinyl)boronic acid?
The canonical SMILES for (4-methoxy-3-pyridinyl)boronic acid is COc1ccncc1B(O)O.
What is the InChIKey of (4-methoxy-3-pyridinyl)boronic acid?
The InChIKey is YUTPAZKVEOJQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BNO3/c1-11-6-2-3-8-4-5(6)7(9)10/h2-4,9-10H,1H3.
What are the key properties of (4-methoxy-3-pyridinyl)boronic acid?
(4-methoxy-3-pyridinyl)boronic acid has a molecular weight of 152.95 g/mol, XLogP of -1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-pyridinyl)boronic acid is sourced from PubChem (CID 2762556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).