200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 869947-05-7
869947-05-7 | 4-Cyclopropyl-2-hydroxy-6-trifluoromethyl-nicotinonitrile
CAS No: 869947-05-7 Catalog No: AG01EY0F MDL No:
Product Description
Catalog Number:
AG01EY0F
Chemical Name:
4-Cyclopropyl-2-hydroxy-6-trifluoromethyl-nicotinonitrile
CAS Number:
869947-05-7
Molecular Formula:
C10H7F3N2O
Molecular Weight:
228.1706
IUPAC Name:
4-cyclopropyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C10H7F3N2O/c11-10(12,13)8-3-6(5-1-2-5)7(4-14)9(16)15-8/h3,5H,1-2H2,(H,15,16)
InChI Key:
XVNJYHDGYUKQIV-UHFFFAOYSA-N
SMILES:
N#Cc1c(O)nc(cc1C1CC1)C(F)(F)F
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.174g/mol
Monoisotopic Mass:
228.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Related Products
© 2019 Angene International Limited. All rights Reserved.