Text Search
Structure Search

5-nitro-2-[(pyridin-3-ylmethyl)amino]benzonitrile

5-nitro-2-[(pyridin-3-ylmethyl)amino]benzonitrile

CAS: 906214-85-5

Formula: C13H10N4O2

SMILES: [O-][N+](=O)C1=CC(C#N)=C(NCC2=CC=CN=C2)C=C1

IUPAC: 5-nitro-2-{[(pyridin-3-yl)methyl]amino}benzonitrile

InChI: InChI=1S/C13H10N4O2/c14-7-11-6-12(17(18)19)3-4-13(11)16-9-10-2-1-5-15-8-10/h1-6,8,16H,9H2

Composition: C (61.41%), H (3.96%), N (22.04%), O (12.59%)

Molar Mass: 254.249

Atom Count: 29

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 254.080375578
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey FUPNRVCRPRAGGD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.75
Topological Polar Surface Area 91.85
Polarizability 25.71
Ring Count 2
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
MATRIX SCIENTIFIC
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 906214-85-5 $134.76$134.76
Request Quote