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861881-02-9 | 4-Iodo-1H-pyrazolo[3,4-b]pyridine
CAS No: 861881-02-9 Catalog No: AG004SW2 MDL No:MFCD11846314
Product Description
Catalog Number:
AG004SW2
Chemical Name:
4-Iodo-1H-pyrazolo[3,4-b]pyridine
CAS Number:
861881-02-9
Molecular Formula:
C6H4IN3
Molecular Weight:
245.0205
MDL Number:
MFCD11846314
IUPAC Name:
4-iodo-1H-pyrazolo[3,4-b]pyridine
InChI:
InChI=1S/C6H4IN3/c7-5-1-2-8-6-4(5)3-9-10-6/h1-3H,(H,8,9,10)
InChI Key:
PEHWWSPOLYSDBW-UHFFFAOYSA-N
SMILES:
Ic1ccnc2c1cn[nH]2
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.945g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.023g/mol
Monoisotopic Mass:
244.945g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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