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52368-18-0 | 2-Pyridinecarboxamide,6-cyano-(9CI)
CAS No: 52368-18-0 Catalog No: AG00E2FL MDL No:MFCD16038715
Product Description
Catalog Number:
AG00E2FL
Chemical Name:
2-Pyridinecarboxamide,6-cyano-(9CI)
CAS Number:
52368-18-0
Molecular Formula:
C7H5N3O
Molecular Weight:
147.1341
MDL Number:
MFCD16038715
IUPAC Name:
6-cyanopyridine-2-carboxamide
InChI:
InChI=1S/C7H5N3O/c8-4-5-2-1-3-6(10-5)7(9)11/h1-3H,(H2,9,11)
InChI Key:
RIQROIGOHGXLPI-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(n1)C(=O)N
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.137g/mol
Monoisotopic Mass:
147.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Biotransformation of heterocyclic dinitriles by Rhodococcus erythropolis and fungal nitrilases. | Biotechnology letters 20070701 |
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