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1638764-68-7 | 1H-Pyrazolo[3,4-b]pyridine-5-carbonitrile, 3-iodo-
CAS No: 1638764-68-7 Catalog No: AG001UI8 MDL No:MFCD23098186
Product Description
Catalog Number:
AG001UI8
Chemical Name:
1H-Pyrazolo[3,4-b]pyridine-5-carbonitrile, 3-iodo-
CAS Number:
1638764-68-7
Molecular Formula:
C7H3IN4
Molecular Weight:
270.0300
MDL Number:
MFCD23098186
IUPAC Name:
3-iodo-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
InChI:
InChI=1S/C7H3IN4/c8-6-5-1-4(2-9)3-10-7(5)12-11-6/h1,3H,(H,10,11,12)
InChI Key:
FGLFOYGIWBCTKW-UHFFFAOYSA-N
SMILES:
Ic1n[nH]c2c1cc(cn2)C#N
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.94g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.033g/mol
Monoisotopic Mass:
269.94g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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