116548-08-4 | 2-Hydroxy-4-methyl-6-(trifluoromethyl)nicotinonitrile

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$89.00	$62.00
5g	98%	in stock	$297.00	$208.00
10g	98%	in stock	$448.00	$314.00
25g	98%	in stock	$758.00	$531.00
100g	98%	in stock	$1,878.00	$1,315.00

Description

• Catalog Number: AA16338
• Chemical Name: 2-Hydroxy-4-methyl-6-(trifluoromethyl)nicotinonitrile
• CAS Number: 116548-08-4
• Molecular Formula: C8H5F3N2O
• Molecular Weight: 202.1333
• MDL Number: MFCD01026933
• SMILES: N#Cc1c(C)cc([nH]c1=O)C(F)(F)F

Computed Properties

• Complexity: 395
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 1
• XLogP3: 0.9

Literature

• Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

  Bioorganic & medicinal chemistry letters 20101101