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5444-01-9 | 3-Pyridinecarbonitrile, 4-methyl-
CAS No: 5444-01-9 Catalog No: AG00I9QB MDL No:MFCD00234272
Product Description
Catalog Number:
AG00I9QB
Chemical Name:
3-Pyridinecarbonitrile, 4-methyl-
CAS Number:
5444-01-9
Molecular Formula:
C7H6N2
Molecular Weight:
118.1359
MDL Number:
MFCD00234272
IUPAC Name:
4-methylpyridine-3-carbonitrile
InChI:
InChI=1S/C7H6N2/c1-6-2-3-9-5-7(6)4-8/h2-3,5H,1H3
InChI Key:
XLAPHZHNODDMDD-UHFFFAOYSA-N
SMILES:
N#Cc1cnccc1C
NSC Number:
19882
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.053g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
118.139g/mol
Monoisotopic Mass:
118.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Total synthesis of (-)-normalindine via addition of metalated 4-methyl-3-cyanopyridine to an enantiopure sulfinimine. | The Journal of organic chemistry 20061110 |
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