6-tert-Butyloxycarbonylamino-5-nitro-4-methylpyridine-3-boronicacidpinacolester

• CAS: 1310383-55-1
• Catalog Number: ACM1310383551
• Category: Boronic Esters

Custom Q&A

What is the molecular formula of 6-tert-Butyloxycarbonylamino-5-nitro-4-methylpyridine-3-boronic acid pinacol ester?

The molecular formula is C17H26BN3O6.

What is the molecular weight of 6-tert-Butyloxycarbonylamino-5-nitro-4-methylpyridine-3-boronic acid pinacol ester?

The molecular weight is 379.2 g/mol.

What is the IUPAC name of 6-tert-Butyloxycarbonylamino-5-nitro-4-methylpyridine-3-boronic acid pinacol ester?

The IUPAC name is tert-butyl N-[4-methyl-3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]carbamate.

What is the InChI of 6-tert-Butyloxycarbonylamino-5-nitro-4-methylpyridine-3-boronic acid pinacol ester?

The InChI is InChI=1S/C17H26BN3O6/c1-10-11(18-26-16(5,6)17(7,8)27-18)9-19-13(12(10)21(23)24)20-14(22)25-15(2,3)4/h9H,1-8H3,(H,19,20,22).

What is the InChIKey of 6-tert-Butyloxycarbonylamino-5-nitro-4-methylpyridine-3-boronic acid pinacol ester?

The InChIKey is AJVYLWNNAJGBKW-UHFFFAOYSA-N.

What is the Canonical SMILES of 6-tert-Butyloxycarbonylamino-5-nitro-4-methylpyridine-3-boronic acid pinacol ester?

The Canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C(=C2C)[N+](=O)[O-])NC(=O)OC(C)(C)C.

How many hydrogen bond donor counts does 6-tert-Butyloxycarbonylamino-5-nitro-4-methylpyridine-3-boronic acid pinacol ester have?

It has 1 hydrogen bond donor count.

How many rotatable bond counts are there in 6-tert-Butyloxycarbonylamino-5-nitro-4-methylpyridine-3-boronic acid pinacol ester?

It has 4 rotatable bond counts.

What is the exact mass of 6-tert-Butyloxycarbonylamino-5-nitro-4-methylpyridine-3-boronic acid pinacol ester?

The exact mass is 379.1914657 g/mol.

Is the compound canonicalized in 6-tert-Butyloxycarbonylamino-5-nitro-4-methylpyridine-3-boronic acid pinacol ester?

Yes, the compound is canonicalized.