(2-methyl-4-pyridinyl)boronic acid

C6H8BNO2 — CID 4192664

IUPAC(2-methyl-4-pyridinyl)boronic acid
SMILESCc1cc(B(O)O)ccn1
InChIInChI=1S/C6H8BNO2/c1-5-4-6(7(9)10)2-3-8-5/h2-4,9-10H,1H3
InChIKeyUFYBTLOLWSABAU-UHFFFAOYSA-N
MW136.95 g/mol
LogP-0.93
Rot. Bonds1

About (2-methyl-4-pyridinyl)boronic acid

(2-methyl-4-pyridinyl)boronic acid (PubChem CID 4192664) has the molecular formula C6H8BNO2 and a molecular weight of 136.95 g/mol. Its IUPAC name is (2-methyl-4-pyridinyl)boronic acid.

Molecular Properties

Compound Name(2-methyl-4-pyridinyl)boronic acid
PubChem CID4192664
Molecular FormulaC6H8BNO2
Molecular Weight136.95 g/mol
Exact Mass137.06
IUPAC Name(2-methyl-4-pyridinyl)boronic acid
SMILESCc1cc(B(O)O)ccn1
InChIInChI=1S/C6H8BNO2/c1-5-4-6(7(9)10)2-3-8-5/h2-4,9-10H,1H3
InChIKeyUFYBTLOLWSABAU-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 (2-methyl-4-pyridinyl)boronic acid?
The IUPAC name of (2-methyl-4-pyridinyl)boronic acid (CID 4192664) is (2-methyl-4-pyridinyl)boronic acid.
What is the SMILES notation for (2-methyl-4-pyridinyl)boronic acid?
The canonical SMILES for (2-methyl-4-pyridinyl)boronic acid is Cc1cc(B(O)O)ccn1.
What is the InChIKey of (2-methyl-4-pyridinyl)boronic acid?
The InChIKey is UFYBTLOLWSABAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BNO2/c1-5-4-6(7(9)10)2-3-8-5/h2-4,9-10H,1H3.
What are the key properties of (2-methyl-4-pyridinyl)boronic acid?
(2-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 (2-methyl-4-pyridinyl)boronic acid is sourced from PubChem (CID 4192664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).