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136831-51-1 | 2-Pyridinecarboxamide, N-(2-aminoethyl)-5-iodo-, hydrochloride (1:1)
CAS No: 136831-51-1 Catalog No: AG0012FN MDL No:
Product Description
Catalog Number:
AG0012FN
Chemical Name:
2-Pyridinecarboxamide, N-(2-aminoethyl)-5-iodo-, hydrochloride (1:1)
CAS Number:
136831-51-1
Molecular Formula:
C8H11ClIN3O
Molecular Weight:
327.5499
IUPAC Name:
N-(2-aminoethyl)-5-iodopyridine-2-carboxamide
InChI:
InChI=1S/C8H10IN3O/c9-6-1-2-7(12-5-6)8(13)11-4-3-10/h1-2,5H,3-4,10H2,(H,11,13)
InChI Key:
SKKPLCGKYCICPR-UHFFFAOYSA-N
SMILES:
NCCNC(=O)c1ccc(cn1)I.Cl
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.987g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.092g/mol
Monoisotopic Mass:
290.987g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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