6-(Benzylamino)pyridine-3-boronicacidpinacolester

• CAS: 1073354-27-4
• Catalog Number: ACM1073354274
• Category: Boronic Esters
• Molecular Weight: 310.2
• Molecular Formula: C₁₈H₂₃BN₂O₂
• Synonyms: 6-(Benzylamino)pyridine-3-boronic acid pinacol ester, 1073354-27-4, CTK8E7344, MolPort-002-054-830, AKOS015949652, AB29920, AK-43593, 2-(BENZYLAMINO)PYRIDINE-5-BORONIC ACID PINACOL ESTER, N-(PHENYLMETHYL)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-PYRIDINAMINE, N-BENZYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-AMINE, 2-PYRIDINAMINE, N-(PHENYLMETHYL)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-
• IUPAC Name: N-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)NCC3=CC=CC=C3
• InChI Key: BWIHFPRFKBKWMU-UHFFFAOYSA-N
• Boiling Point: 446.8ºC at 760 mmHg
• Flash Point: 224ºC
• Density: 1.1g/cm³
• Exact Mass: 310.18500
• H-Bond Acceptor: 4
• H-Bond Donor: 1

Custom Q&A

What is the IUPAC name of the compound 6-(Benzylamino)pyridine-3-boronicacidpinacolester?

[6-(benzylamino)pyridin-3-yl]-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyborinic acid

What is the InChI code for 6-(Benzylamino)pyridine-3-boronicacidpinacolester?

InChI=1S/C18H25BN2O3/c1-17(2,22)18(3,4)24-19(23)15-10-11-16(21-13-15)20-12-14-8-6-5-7-9-14/h5-11,13,22-23H,12H2,1-4H3,(H,20,21)

What is the InChIKey for 6-(Benzylamino)pyridine-3-boronicacidpinacolester?

ZXOVLEZDECFKMP-UHFFFAOYSA-N

What is the Canonical SMILES for 6-(Benzylamino)pyridine-3-boronicacidpinacolester?

B(C1=CN=C(C=C1)NCC2=CC=CC=C2)(O)OC(C)(C)C(C)(C)O

What is the molecular weight of 6-(Benzylamino)pyridine-3-boronicacidpinacolester?

328.2 g/mol

How many hydrogen bond donor counts does 6-(Benzylamino)pyridine-3-boronicacidpinacolester have?

3

How many hydrogen bond acceptor counts does 6-(Benzylamino)pyridine-3-boronicacidpinacolester have?

5

What is the topological polar surface area of 6-(Benzylamino)pyridine-3-boronicacidpinacolester?

74.6Ų

How many rotatable bond counts does 6-(Benzylamino)pyridine-3-boronicacidpinacolester have?

7

Does 6-(Benzylamino)pyridine-3-boronicacidpinacolester exhibit any defined atom stereocenter count?

No