[6-methyl-5-(2-methylpropyl)-3-pyridinyl]boronic acid

C10H16BNO2 — CID 170899507

IUPAC[6-methyl-5-(2-methylpropyl)-3-pyridinyl]boronic acid
SMILESCc1ncc(B(O)O)cc1CC(C)C
InChIInChI=1S/C10H16BNO2/c1-7(2)4-9-5-10(11(13)14)6-12-8(9)3/h5-7,13-14H,4H2,1-3H3
InChIKeyJARLFVHACYCVEH-UHFFFAOYSA-N
MW193.06 g/mol
LogP0.27
Rot. Bonds3

About [6-methyl-5-(2-methylpropyl)-3-pyridinyl]boronic acid

[6-methyl-5-(2-methylpropyl)-3-pyridinyl]boronic acid (PubChem CID 170899507) has the molecular formula C10H16BNO2 and a molecular weight of 193.06 g/mol. Its IUPAC name is [6-methyl-5-(2-methylpropyl)-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[6-methyl-5-(2-methylpropyl)-3-pyridinyl]boronic acid
PubChem CID170899507
Molecular FormulaC10H16BNO2
Molecular Weight193.06 g/mol
Exact Mass193.13
IUPAC Name[6-methyl-5-(2-methylpropyl)-3-pyridinyl]boronic acid
SMILESCc1ncc(B(O)O)cc1CC(C)C
InChIInChI=1S/C10H16BNO2/c1-7(2)4-9-5-10(11(13)14)6-12-8(9)3/h5-7,13-14H,4H2,1-3H3
InChIKeyJARLFVHACYCVEH-UHFFFAOYSA-N
XLogP0.27
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.06
LogP ≤ 50.27
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-5-(2-methylpropyl)-3-pyridinyl]boronic acid?
The IUPAC name of [6-methyl-5-(2-methylpropyl)-3-pyridinyl]boronic acid (CID 170899507) is [6-methyl-5-(2-methylpropyl)-3-pyridinyl]boronic acid.
What is the SMILES notation for [6-methyl-5-(2-methylpropyl)-3-pyridinyl]boronic acid?
The canonical SMILES for [6-methyl-5-(2-methylpropyl)-3-pyridinyl]boronic acid is Cc1ncc(B(O)O)cc1CC(C)C.
What is the InChIKey of [6-methyl-5-(2-methylpropyl)-3-pyridinyl]boronic acid?
The InChIKey is JARLFVHACYCVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BNO2/c1-7(2)4-9-5-10(11(13)14)6-12-8(9)3/h5-7,13-14H,4H2,1-3H3.
What are the key properties of [6-methyl-5-(2-methylpropyl)-3-pyridinyl]boronic acid?
[6-methyl-5-(2-methylpropyl)-3-pyridinyl]boronic acid has a molecular weight of 193.06 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-5-(2-methylpropyl)-3-pyridinyl]boronic acid is sourced from PubChem (CID 170899507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).