Products for Research Use Only

3-Pyridinecarboxamide, n- (2-fluorophenyl) -

CAT: 0127-BUP23457-01Size: 2 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-BUP23457-01Size:2 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
84951-68-8
Purity
≥95%
Smiles
Fc1ccccc1NC (=O) c1cccnc1

Chemical Information

n-(2-Fluorophenyl)nicotinamide
CAS Number84951-68-8
PubChem CID279880
IUPAC NameN-(2-fluorophenyl)pyridine-3-carboxamide
Molecular FormulaC12H9FN2O
Molecular Weight216.21
XLogP1.8
Topological Polar Surface Area42
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity247
SMILES
C1=CC=C(C(=C1)NC(=O)C2=CN=CC=C2)F
InChI
InChI=1S/C12H9FN2O/c13-10-5-1-2-6-11(10)15-12(16)9-4-3-7-14-8-9/h1-8H,(H,15,16)
InChIKey
NFDGKRRKIIFBAB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of n-(2-Fluorophenyl)nicotinamide
CAS: 84951-68-8
CID: 279880
Formula: C12H9FN2O
MW: 216.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight216.21
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass216.06989108
Monoisotopic Mass216.06989108
Topological Polar Surface Area42 Ų
Heavy Atom Count16
Formal Charge0
Complexity247
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes