Free Chemical Databases
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[Synonyms]
2,6-Diamino-4-chloropyridine
NSC41776
D259
6309-00-8
[Structure]
[ Properties Computed from Structure]
Molecular Weight 143.57424 [g/mol] Molecular Formula C5H6ClN3 XLogP 1.2 H-Bond Donor 2 H-Bond Acceptor 3 Rotatable Bond Count 0 Tautomer Count 5 Exact Mass 143.025025 MonoIsotopic Mass 143.025025 Topological Polar Surface Area 64.9 Heavy Atom Count 9 Formal Charge 0 Complexity 88.2 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 4-chloropyridine-2,6-diamine
Canonical SMILES: C1=C(C=C(N=C1N)N)Cl
InChI: InChI=1/C5H6ClN3/c6-3-1-4(7)9-5(8)2-3/h1-2H,(H4,7,8,9)/f/h7-8H2
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