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Home > Fluorides > 1190316-80-3
1190316-80-3 | 1H-Pyrrolo[2,3-b]pyridine-4-carbonitrile, 6-fluoro-2,3-dihydro-2-oxo-
CAS No: 1190316-80-3 Catalog No: AG000HPR MDL No:
Product Description
Catalog Number:
AG000HPR
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-4-carbonitrile, 6-fluoro-2,3-dihydro-2-oxo-
CAS Number:
1190316-80-3
Molecular Formula:
C8H4FN3O
Molecular Weight:
177.1353
IUPAC Name:
6-fluoro-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-4-carbonitrile
InChI:
InChI=1S/C8H4FN3O/c9-6-1-4(3-10)5-2-7(13)12-8(5)11-6/h1H,2H2,(H,11,12,13)
InChI Key:
MMVKNQJZOLWLJL-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)nc2c1CC(=O)N2
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.034g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.138g/mol
Monoisotopic Mass:
177.034g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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