2-Chloro-6-[[1-(hydroxymethyl)-2-methyl-propyl]amino]-4-(trifluoromethyl)pyridine-3-carbonitrile

HCID 58265083

Basic information

Standard SMILES
CC(C)C(CO)Nc1cc(C(F)(F)F)c(C#N)c(Cl)n1
InChIKey
MGDSQDICZPPYDS-UHFFFAOYSA-N
Molecular formula
C12H13ClF3N3O
Average molar mass
307.7 g/mol

Names & identifiers

Preferred name
2-Chloro-6-[[1-(hydroxymethyl)-2-methyl-propyl]amino]-4-(trifluoromethyl)pyridine-3-carbonitrile
IUPAC
2-chloro-6-[(1-hydroxy-3-methylbutan-2-yl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile

Names & synonyms

2-Chloro-6-[[1-(hydroxymethyl)-2-methyl-propyl]amino]-4-(trifluoromethyl)pyridine-3-carbonitrileSCHEMBL17824302-Chloro-6-[[1-(hydroxymethyl)-2-methyl-propyl]amino]-4-(trifluoromethyl) pyridine-3-carbonitrile

Database identifiers

PubChem CID
58265083

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
68.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
20

Related reactions

6 records

Compound notes

Loading…