Text Search
Structure Search

methyl 2-cyano-2-(5-cyanopyridin-2-yl)acetate

methyl 2-cyano-2-(5-cyanopyridin-2-yl)acetate

CAS: 1242268-04-7

Formula: C10H7N3O2

SMILES: COC(=O)C(C#N)C1=NC=C(C=C1)C#N

IUPAC: methyl 2-cyano-2-(5-cyanopyridin-2-yl)acetate

InChI: InChI=1/C10H7N3O2/c1-15-10(14)8(5-12)9-3-2-7(4-11)6-13-9/h2-3,6,8H,1H3

Composition: C (59.70%), H (3.51%), N (20.89%), O (15.90%)

Molar Mass: 201.185

Atom Count: 22

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 201.053826477
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey XXLPXBLMHYJODO-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.6
Topological Polar Surface Area 86.77
Polarizability 19.29
Ring Count 1
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1242268-04-7 $51.35-$180.26$51.35$63.37$86.31$113.62$180.26
Request Quote