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1167055-95-9 | 1H-Pyrrolo[2,3-b]pyridine, 4-iodo-6-methyl-
CAS No: 1167055-95-9 Catalog No: AG000D2U MDL No:
Product Description
Catalog Number:
AG000D2U
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 4-iodo-6-methyl-
CAS Number:
1167055-95-9
Molecular Formula:
C8H7IN2
Molecular Weight:
258.0590
IUPAC Name:
4-iodo-6-methyl-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C8H7IN2/c1-5-4-7(9)6-2-3-10-8(6)11-5/h2-4H,1H3,(H,10,11)
InChI Key:
ZKXRTJDKBCXNHU-UHFFFAOYSA-N
SMILES:
Cc1cc(I)c2c(n1)[nH]cc2
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.965g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.062g/mol
Monoisotopic Mass:
257.965g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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