Chemical ID: 6672577

c1c(cnc(c1[N+](=O)[O-])N)Cl
Chemical ID:
6672577
Name [?]:
5-chloro-3-nitro-pyridin-2-amine
SMILES [?]:
c1c(cnc(c1[N+](=O)[O-])N)Cl
InChi [?]:
InChI=1/C5H4ClN3O2/c6-3-1-4(9(10)11)5(7)8-2-3/h1-2H,(H2,7,8)
InChi Info:
AuxInfo=1/1/N:1,3,2,6,5,11,10,4,7,8,9/E:(10,11)/CRV:9.5/rA:11nCCCNCCN+OO-NCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s5;s2;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H4ClN3O2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:1.63176
Area:316.089
Solvation:-6.27046
Coulombic:-33.9838
Bond Count [?]
All:11
Single:7
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:173.557
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.72
LogP (Chemaxon):1.77

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Descriptor Annotations

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