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Home > Fluorides > 1256809-57-0
1256809-57-0 | 1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 5-fluoro-
CAS No: 1256809-57-0 Catalog No: AG000OEU MDL No:MFCD18259697
Product Description
Catalog Number:
AG000OEU
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 5-fluoro-
CAS Number:
1256809-57-0
Molecular Formula:
C8H4FN3
Molecular Weight:
161.1359
MDL Number:
MFCD18259697
IUPAC Name:
5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
InChI:
InChI=1S/C8H4FN3/c9-6-1-7-5(2-10)3-11-8(7)12-4-6/h1,3-4H,(H,11,12)
InChI Key:
VTTUNQCMDPRMCK-UHFFFAOYSA-N
SMILES:
Fc1cc2c(c[nH]c2nc1)C#N
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.039g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.139g/mol
Monoisotopic Mass:
161.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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