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180995-02-2 | 3-Pyridinecarbonitrile, 2-amino-5-iodo-4-methyl-
CAS No: 180995-02-2 Catalog No: AG0022IT MDL No:MFCD09030796
Product Description
Catalog Number:
AG0022IT
Chemical Name:
3-Pyridinecarbonitrile, 2-amino-5-iodo-4-methyl-
CAS Number:
180995-02-2
Molecular Formula:
C7H6IN3
Molecular Weight:
259.0471
MDL Number:
MFCD09030796
IUPAC Name:
2-amino-5-iodo-4-methylpyridine-3-carbonitrile
InChI:
InChI=1S/C7H6IN3/c1-4-5(2-9)7(10)11-3-6(4)8/h3H,1H3,(H2,10,11)
InChI Key:
ZTQHKPCXMQZMFA-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)ncc(c1C)I
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.961g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.05g/mol
Monoisotopic Mass:
258.961g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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