6-(Boc-methylamino)pyridine-3-boronicacidpinacolester

• CAS: 1032758-87-4
• Catalog Number: ACM1032758874
• Category: Boronic Esters
• Molecular Weight: 334.21828
• Molecular Formula: C₁₇H₂₇BN₂O₄
• Synonyms: 1032758-87-4, 6-(Boc-methylamino)pyridine-3-boronic acid pinacol ester, tert-Butyl methyl(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)carbamate, TERT-BUTYL N-METHYL-N-[5-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)PYRIDIN-2-YL]CARBAMATE, SureCN1181140, CTK8A9051, MolPort-002-054-850, ANW-14831, AKOS015949653, AK-91937, BD230110, KB-44320, A-3833
• IUPAC Name: tert-butyl N-methyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]carbamate
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N(C)C(=O)OC(C)(C)C
• InChI Key: QGBJKHALDLKAGX-UHFFFAOYSA-N
• Boiling Point: 435.7ºC at 760 mmHg
• Flash Point: 217.3ºC
• Density: 1.09g/cm³
• Exact Mass: 334.20600
• H-Bond Acceptor: 5
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C17H29BN2O5.

What is the molecular weight of the compound?

The molecular weight is 352.2 g/mol.

When was the compound created?

The compound was created on March 22, 2012.

When was the compound last modified?

The compound was last modified on December 2, 2023.

What is the IUPAC name of the compound?

The IUPAC name is (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridin-3-yl]borinic acid.

What is the InChI of the compound?

The InChI is InChI=1S/C17H29BN2O5/c1-15(2,3)24-14(21)20(8)13-10-9-12(11-19-13)18(23)25-17(6,7)16(4,5)22/h9-11,22-23H,1-8H3.

What is the InChIKey of the compound?

The InChIKey is YFDGGLUBNYDLQG-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is B(C1=CN=C(C=C1)N(C)C(=O)OC(C)(C)C)(O)OC(C)(C)C(C)(C)O.

How many hydrogen bond donor counts does the compound have?

The compound has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 6 hydrogen bond acceptor counts.