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1221288-25-0 | 1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid, 3-iodo-, methyl ester
CAS No: 1221288-25-0 Catalog No: AG0016T5 MDL No:MFCD17015947
Product Description
Catalog Number:
AG0016T5
Chemical Name:
1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid, 3-iodo-, methyl ester
CAS Number:
1221288-25-0
Molecular Formula:
C8H6IN3O2
Molecular Weight:
303.0566
MDL Number:
MFCD17015947
IUPAC Name:
methyl 3-iodo-2H-pyrazolo[3,4-b]pyridine-5-carboxylate
InChI:
InChI=1S/C8H6IN3O2/c1-14-8(13)4-2-5-6(9)11-12-7(5)10-3-4/h2-3H,1H3,(H,10,11,12)
InChI Key:
DQPCXBYZCBMZDP-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c(I)n[nH]c2nc1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.95g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.059g/mol
Monoisotopic Mass:
302.95g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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