Home Other Building Blocks Pyr6

Pyr6

CAS No.:
245747-08-4
Catalog Number:
AG00BF6G
Molecular Formula:
C17H9F7N4O
Molecular Weight:
418.2684
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$148
- +
10mg
99%
1 week
United States
$207
- +
Product Description
Catalog Number:
AG00BF6G
Chemical Name:
Pyr6
CAS Number:
245747-08-4
Molecular Formula:
C17H9F7N4O
Molecular Weight:
418.2684
MDL Number:
MFCD28385867
IUPAC Name:
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide
InChI:
InChI=1S/C17H9F7N4O/c18-12-8-25-6-5-11(12)15(29)26-9-1-3-10(4-2-9)28-14(17(22,23)24)7-13(27-28)16(19,20)21/h1-8H,(H,26,29)
InChI Key:
XZIQSOZOLJJMFN-UHFFFAOYSA-N
SMILES:
O=C(c1ccncc1F)Nc1ccc(cc1)n1nc(cc1C(F)(F)F)C(F)(F)F
Properties
Complexity:
577  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.066g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
418.275g/mol
Monoisotopic Mass:
418.066g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties