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Home > Pyridines > 1246088-39-0
1246088-39-0 | N-(2-cyano-5-formylpyridin-3-yl)pivalamide
CAS No: 1246088-39-0 Catalog No: AG00HHPT MDL No:MFCD17171317
Product Description
Catalog Number:
AG00HHPT
Chemical Name:
N-(2-cyano-5-formylpyridin-3-yl)pivalamide
CAS Number:
1246088-39-0
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
MDL Number:
MFCD17171317
IUPAC Name:
N-(2-cyano-5-formylpyridin-3-yl)-2,2-dimethylpropanamide
InChI:
InChI=1S/C12H13N3O2/c1-12(2,3)11(17)15-9-4-8(7-16)6-14-10(9)5-13/h4,6-7H,1-3H3,(H,15,17)
InChI Key:
FRQDOYCGDQZWFA-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(c(c1)NC(=O)C(C)(C)C)C#N
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.255g/mol
Monoisotopic Mass:
231.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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