[2-cyclopropyl-6-[ethyl(methyl)amino]-4-pyridinyl]boronic acid

C11H17BN2O2 — CID 172645170

IUPAC[2-cyclopropyl-6-[ethyl(methyl)amino]-4-pyridinyl]boronic acid
SMILESCCN(C)c1cc(B(O)O)cc(C2CC2)n1
InChIInChI=1S/C11H17BN2O2/c1-3-14(2)11-7-9(12(15)16)6-10(13-11)8-4-5-8/h6-8,15-16H,3-5H2,1-2H3
InChIKeyVCGVSQWBBNIPPB-UHFFFAOYSA-N
MW220.08 g/mol
LogP0.09
Rot. Bonds4

About [2-cyclopropyl-6-[ethyl(methyl)amino]-4-pyridinyl]boronic acid

[2-cyclopropyl-6-[ethyl(methyl)amino]-4-pyridinyl]boronic acid (PubChem CID 172645170) has the molecular formula C11H17BN2O2 and a molecular weight of 220.08 g/mol. Its IUPAC name is [2-cyclopropyl-6-[ethyl(methyl)amino]-4-pyridinyl]boronic acid.

Molecular Properties

Compound Name[2-cyclopropyl-6-[ethyl(methyl)amino]-4-pyridinyl]boronic acid
PubChem CID172645170
Molecular FormulaC11H17BN2O2
Molecular Weight220.08 g/mol
Exact Mass220.14
IUPAC Name[2-cyclopropyl-6-[ethyl(methyl)amino]-4-pyridinyl]boronic acid
SMILESCCN(C)c1cc(B(O)O)cc(C2CC2)n1
InChIInChI=1S/C11H17BN2O2/c1-3-14(2)11-7-9(12(15)16)6-10(13-11)8-4-5-8/h6-8,15-16H,3-5H2,1-2H3
InChIKeyVCGVSQWBBNIPPB-UHFFFAOYSA-N
XLogP0.09
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.08
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-cyclopropyl-6-[ethyl(methyl)amino]-4-pyridinyl]boronic acid?
The IUPAC name of [2-cyclopropyl-6-[ethyl(methyl)amino]-4-pyridinyl]boronic acid (CID 172645170) is [2-cyclopropyl-6-[ethyl(methyl)amino]-4-pyridinyl]boronic acid.
What is the SMILES notation for [2-cyclopropyl-6-[ethyl(methyl)amino]-4-pyridinyl]boronic acid?
The canonical SMILES for [2-cyclopropyl-6-[ethyl(methyl)amino]-4-pyridinyl]boronic acid is CCN(C)c1cc(B(O)O)cc(C2CC2)n1.
What is the InChIKey of [2-cyclopropyl-6-[ethyl(methyl)amino]-4-pyridinyl]boronic acid?
The InChIKey is VCGVSQWBBNIPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BN2O2/c1-3-14(2)11-7-9(12(15)16)6-10(13-11)8-4-5-8/h6-8,15-16H,3-5H2,1-2H3.
What are the key properties of [2-cyclopropyl-6-[ethyl(methyl)amino]-4-pyridinyl]boronic acid?
[2-cyclopropyl-6-[ethyl(methyl)amino]-4-pyridinyl]boronic acid has a molecular weight of 220.08 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-6-[ethyl(methyl)amino]-4-pyridinyl]boronic acid is sourced from PubChem (CID 172645170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).