Text Search
Structure Search

5-{[(5-bromopyridin-2-yl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione

5-{[(5-bromopyridin-2-yl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione

CAS: 25165-70-2

Formula: C12H11BrN2O4

SMILES: CC1(C)OC(=O)C(=CNC2=CC=C(Br)C=N2)C(=O)O1

IUPAC: 5-{[(5-bromopyridin-2-yl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione

InChI: InChI=1S/C12H11BrN2O4/c1-12(2)18-10(16)8(11(17)19-12)6-15-9-4-3-7(13)5-14-9/h3-6H,1-2H3,(H,14,15)

Composition: C (44.06%), H (3.39%), Br (24.43%), N (8.56%), O (19.56%)

Molar Mass: 327.134

Atom Count: 30

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 325.99022
Formal Charge 0
FSP3 0.25
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey QHFOXJGGDKYKFE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.36
Topological Polar Surface Area 77.52
Polarizability 27.05
Ring Count 2
Rotatable Bond Count 2

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
AA BLOCKS INC
Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 25165-70-2 $303.60-$526.70$303.60$526.70
Request Quote