Chemical ID: 6045351

c1cnc(c(c1Cl)[N+](=O)[O-])N
Chemical ID:
6045351
Name [?]:
4-chloro-3-nitro-pyridin-2-amine
SMILES [?]:
c1cnc(c(c1Cl)[N+](=O)[O-])N
InChi [?]:
InChI=1/C5H4ClN3O2/c6-3-1-2-8-5(7)4(3)9(10)11/h1-2H,(H2,7,8)
InChi Info:
AuxInfo=1/1/N:1,2,6,5,4,7,11,3,8,9,10/E:(10,11)/CRV:9.5/rA:11nCCNCCCClN+OO-N/rB:s1;d2;s3;d4;d1s5;s6;s5;d8;s8;s4;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H4ClN3O2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:1.38255
Area:310.099
Solvation:-6.36991
Coulombic:-34.2669
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

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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