Chemical ID: 4662355

CNc1ccnc(c1[N+](=O)[O-])N
Chemical ID:
4662355
Name [?]:
N'-methyl-3-nitro-pyridine-2,4-diamine
SMILES [?]:
CNc1ccnc(c1[N+](=O)[O-])N
InChi [?]:
InChI=1/C6H8N4O2/c1-8-4-2-3-9-6(7)5(4)10(11)12/h2-3H,1H3,(H3,7,8,9)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,8,7,12,2,6,9,10,11/E:(11,12)/CRV:10.5/rA:12nCNCCCNCCN+OO-N/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s7;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H8N4O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:1.8389
Area:322.016
Solvation:-6.21148
Coulombic:-47.4822
Bond Count [?]
All:12
Single:8
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:168.153
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:0.95
LogP (Chemaxon):1.48

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