(6-methyl-3-pyridinyl)boronic acid

C6H8BNO2 — CID 2763081

IUPAC(6-methyl-3-pyridinyl)boronic acid
SMILESCc1ccc(B(O)O)cn1
InChIInChI=1S/C6H8BNO2/c1-5-2-3-6(4-8-5)7(9)10/h2-4,9-10H,1H3
InChIKeyMZUSCPDSQJSBSY-UHFFFAOYSA-N
MW136.95 g/mol
LogP-0.93
Rot. Bonds1

About (6-methyl-3-pyridinyl)boronic acid

(6-methyl-3-pyridinyl)boronic acid (PubChem CID 2763081) has the molecular formula C6H8BNO2 and a molecular weight of 136.95 g/mol. Its IUPAC name is (6-methyl-3-pyridinyl)boronic acid.

Molecular Properties

Compound Name(6-methyl-3-pyridinyl)boronic acid
PubChem CID2763081
Molecular FormulaC6H8BNO2
Molecular Weight136.95 g/mol
Exact Mass137.06
IUPAC Name(6-methyl-3-pyridinyl)boronic acid
SMILESCc1ccc(B(O)O)cn1
InChIInChI=1S/C6H8BNO2/c1-5-2-3-6(4-8-5)7(9)10/h2-4,9-10H,1H3
InChIKeyMZUSCPDSQJSBSY-UHFFFAOYSA-N
XLogP-0.93
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.95
LogP ≤ 5-0.93
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 (6-methyl-3-pyridinyl)boronic acid?
The IUPAC name of (6-methyl-3-pyridinyl)boronic acid (CID 2763081) is (6-methyl-3-pyridinyl)boronic acid.
What is the SMILES notation for (6-methyl-3-pyridinyl)boronic acid?
The canonical SMILES for (6-methyl-3-pyridinyl)boronic acid is Cc1ccc(B(O)O)cn1.
What is the InChIKey of (6-methyl-3-pyridinyl)boronic acid?
The InChIKey is MZUSCPDSQJSBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BNO2/c1-5-2-3-6(4-8-5)7(9)10/h2-4,9-10H,1H3.
What are the key properties of (6-methyl-3-pyridinyl)boronic acid?
(6-methyl-3-pyridinyl)boronic acid has a molecular weight of 136.95 g/mol, XLogP of -0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3-pyridinyl)boronic acid is sourced from PubChem (CID 2763081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).