6-(1-Hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yloxy)-2-(4-oxopentyloxy)-4-(trifluoromethyl)nicotinonitrile

HCID 66726636
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Basic information

Standard SMILES
CC(=O)CCCOc1nc(Oc2ccc3c(c2)COB3O)cc(C(F)(F)F)c1C#N
InChIKey
NSVZCMUAFBWPEB-UHFFFAOYSA-N
Molecular formula
C19H16BF3N2O5
Average molar mass
420.1 g/mol

Names & identifiers

Preferred name
6-(1-Hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yloxy)-2-(4-oxopentyloxy)-4-(trifluoromethyl)nicotinonitrile
IUPAC
6-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]-2-(4-oxopentoxy)-4-(trifluoromethyl)pyridine-3-carbonitrile

Names & synonyms

6-(1-Hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yloxy)-2-(4-oxopentyloxy)-4-(trifluoromethyl)nicotinonitrileSCHEMBL566096CHEMBL3694414BDBM120856US8716478, D242

Database identifiers

PubChem CID
66726636
ChEMBL
CHEMBL3694414

Properties

Computed structural properties

Topological polar surface area
102 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
10
Rotatable bonds
7
Heavy atoms
30

Related reactions

2 records
New reaction record

Linked notes

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