CAS 910037-15-9|3,4-Dihydro-4-methyl-2H-pyrido[3,2-b][1,4]oxazine-7-boronic acid, pinacol ester 97%|2-(3,4-Dihydro-4-methyl-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane|...

General Information

Structure

Molecular Formula

C₁₄H₂₁BN₂O₃

Molecular Mass

276.13914

Exact Mass

276.16452294

Charge

InChI

InChI=1S/C14H21BN2O3/c1-13(2)14(3,4)20-15(19-13)10-8-11-12(16-9-10)17(5)6-7-18-11/h8-9H,6-7H2,1-5H3

InChIKey

PDTRXHRSCGNYFD-UHFFFAOYSA-N

Canonic Smiles

CN1CCOc2c1ncc(c2)B1OC(C(O1)(C)C)(C)C

Isomeric Smiles

O1c2c(ncc(c2)B2OC(C(O2)(C)C)(C)C)N(C)CC1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.0205693

LogD (pH = 7.4)

3.119574

Log P

3.121

Molar Refractivity

72.7925

Polarizability

29.720543

Polar Surface Area

43.82

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

4-methyl-7-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2H,3H-pyrido[3,2-b][1,4]oxazine

Synonyms

2-(3,4-Dihydro-4-methyl-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane3,4-Dihydro-4-methyl-2H-pyrido[3,2-b][1,4]oxazine-7-boronic acid, pinacol ester 97%4-Methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine4-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

IUPAC name

4-methyl-7-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2H,3H,4H-pyrido[3,2-b][1,4]oxazine

Names and Identifiers

Registration numbers

PubChem SID

PubChem CID

CAS Number

MDL Number