(3-methyl-4-pyridinyl)boronic acid

C6H8BNO2 — CID 44754762

IUPAC(3-methyl-4-pyridinyl)boronic acid
SMILESCc1cnccc1B(O)O
InChIInChI=1S/C6H8BNO2/c1-5-4-8-3-2-6(5)7(9)10/h2-4,9-10H,1H3
InChIKeyKSERCJHSQPNSJM-UHFFFAOYSA-N
MW136.95 g/mol
LogP-0.93
Rot. Bonds1

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

(3-methyl-4-pyridinyl)boronic acid (PubChem CID 44754762) has the molecular formula C6H8BNO2 and a molecular weight of 136.95 g/mol. Its IUPAC name is (3-methyl-4-pyridinyl)boronic acid.

Molecular Properties

Compound Name(3-methyl-4-pyridinyl)boronic acid
PubChem CID44754762
Molecular FormulaC6H8BNO2
Molecular Weight136.95 g/mol
Exact Mass137.06
IUPAC Name(3-methyl-4-pyridinyl)boronic acid
SMILESCc1cnccc1B(O)O
InChIInChI=1S/C6H8BNO2/c1-5-4-8-3-2-6(5)7(9)10/h2-4,9-10H,1H3
InChIKeyKSERCJHSQPNSJM-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 (3-methyl-4-pyridinyl)boronic acid?
The IUPAC name of (3-methyl-4-pyridinyl)boronic acid (CID 44754762) is (3-methyl-4-pyridinyl)boronic acid.
What is the SMILES notation for (3-methyl-4-pyridinyl)boronic acid?
The canonical SMILES for (3-methyl-4-pyridinyl)boronic acid is Cc1cnccc1B(O)O.
What is the InChIKey of (3-methyl-4-pyridinyl)boronic acid?
The InChIKey is KSERCJHSQPNSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BNO2/c1-5-4-8-3-2-6(5)7(9)10/h2-4,9-10H,1H3.
What are the key properties of (3-methyl-4-pyridinyl)boronic acid?
(3-methyl-4-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 (3-methyl-4-pyridinyl)boronic acid is sourced from PubChem (CID 44754762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).