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331969-21-2 | 4-Pyridinecarboxamide,N-(1,1-dimethylethyl)-3-iodo-
CAS No: 331969-21-2 Catalog No: AG007H55 MDL No:MFCD03411648
Product Description
Catalog Number:
AG007H55
Chemical Name:
4-Pyridinecarboxamide,N-(1,1-dimethylethyl)-3-iodo-
CAS Number:
331969-21-2
Molecular Formula:
C10H13IN2O
Molecular Weight:
304.1275
MDL Number:
MFCD03411648
IUPAC Name:
N-tert-butyl-3-iodopyridine-4-carboxamide
InChI:
InChI=1S/C10H13IN2O/c1-10(2,3)13-9(14)7-4-5-12-6-8(7)11/h4-6H,1-3H3,(H,13,14)
InChI Key:
SCGDHGAWTIPMDC-UHFFFAOYSA-N
SMILES:
O=C(c1ccncc1I)NC(C)(C)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.007g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.131g/mol
Monoisotopic Mass:
304.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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