(6-amino-2-methyl-3-pyridinyl)oxyboronic acid

C6H9BN2O3 — CID 167529599

IUPAC(6-amino-2-methyl-3-pyridinyl)oxyboronic acid
SMILESCc1nc(N)ccc1OB(O)O
InChIInChI=1S/C6H9BN2O3/c1-4-5(12-7(10)11)2-3-6(8)9-4/h2-3,10-11H,1H3,(H2,8,9)
InChIKeyOSDFDOXZQZBVOY-UHFFFAOYSA-N
MW167.96 g/mol
LogP-0.68
Rot. Bonds2

About (6-amino-2-methyl-3-pyridinyl)oxyboronic acid

(6-amino-2-methyl-3-pyridinyl)oxyboronic acid (PubChem CID 167529599) has the molecular formula C6H9BN2O3 and a molecular weight of 167.96 g/mol. Its IUPAC name is (6-amino-2-methyl-3-pyridinyl)oxyboronic acid.

Molecular Properties

Compound Name(6-amino-2-methyl-3-pyridinyl)oxyboronic acid
PubChem CID167529599
Molecular FormulaC6H9BN2O3
Molecular Weight167.96 g/mol
Exact Mass168.07
IUPAC Name(6-amino-2-methyl-3-pyridinyl)oxyboronic acid
SMILESCc1nc(N)ccc1OB(O)O
InChIInChI=1S/C6H9BN2O3/c1-4-5(12-7(10)11)2-3-6(8)9-4/h2-3,10-11H,1H3,(H2,8,9)
InChIKeyOSDFDOXZQZBVOY-UHFFFAOYSA-N
XLogP-0.68
TPSA88.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.96
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-amino-2-methyl-3-pyridinyl)oxyboronic acid?
The IUPAC name of (6-amino-2-methyl-3-pyridinyl)oxyboronic acid (CID 167529599) is (6-amino-2-methyl-3-pyridinyl)oxyboronic acid.
What is the SMILES notation for (6-amino-2-methyl-3-pyridinyl)oxyboronic acid?
The canonical SMILES for (6-amino-2-methyl-3-pyridinyl)oxyboronic acid is Cc1nc(N)ccc1OB(O)O.
What is the InChIKey of (6-amino-2-methyl-3-pyridinyl)oxyboronic acid?
The InChIKey is OSDFDOXZQZBVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BN2O3/c1-4-5(12-7(10)11)2-3-6(8)9-4/h2-3,10-11H,1H3,(H2,8,9).
What are the key properties of (6-amino-2-methyl-3-pyridinyl)oxyboronic acid?
(6-amino-2-methyl-3-pyridinyl)oxyboronic acid has a molecular weight of 167.96 g/mol, XLogP of -0.68, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2-methyl-3-pyridinyl)oxyboronic acid is sourced from PubChem (CID 167529599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).