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Home > Nitro Compounds > 1171507-60-0
1171507-60-0 | 3-nitro-2-[4-(pyrrolidin-1-ylcarbonyl)piperidin-1-yl]pyridine
CAS No: 1171507-60-0 Catalog No: AG00J5E7 MDL No:MFCD13409567
Product Description
Catalog Number:
AG00J5E7
Chemical Name:
3-nitro-2-[4-(pyrrolidin-1-ylcarbonyl)piperidin-1-yl]pyridine
CAS Number:
1171507-60-0
Molecular Formula:
C15H20N4O3
Molecular Weight:
304.3443
MDL Number:
MFCD13409567
IUPAC Name:
[1-(3-nitropyridin-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
InChI:
InChI=1S/C15H20N4O3/c20-15(18-8-1-2-9-18)12-5-10-17(11-6-12)14-13(19(21)22)4-3-7-16-14/h3-4,7,12H,1-2,5-6,8-11H2
InChI Key:
RJJCTNDPNGAGEU-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC1)C1CCN(CC1)c1ncccc1[N+](=O)[O-]
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.154g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.35g/mol
Monoisotopic Mass:
304.154g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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