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Home > Nitro Compounds > 1046454-88-9
1046454-88-9 | 2-{4-[5-(furan-2-yl)-1H-pyrazol-3-yl]piperidin-1-yl}-3-nitropyridine
CAS No: 1046454-88-9 Catalog No: AG00IP8P MDL No:MFCD05974875
Product Description
Catalog Number:
AG00IP8P
Chemical Name:
2-{4-[5-(furan-2-yl)-1H-pyrazol-3-yl]piperidin-1-yl}-3-nitropyridine
CAS Number:
1046454-88-9
Molecular Formula:
C17H17N5O3
Molecular Weight:
339.3486
MDL Number:
MFCD05974875
IUPAC Name:
2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-nitropyridine
InChI:
InChI=1S/C17H17N5O3/c23-22(24)15-3-1-7-18-17(15)21-8-5-12(6-9-21)13-11-14(20-19-13)16-4-2-10-25-16/h1-4,7,10-12H,5-6,8-9H2,(H,19,20)
InChI Key:
ZDNNCYMMPVQKHO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccnc1N1CCC(CC1)c1n[nH]c(c1)c1ccco1
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.133g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.355g/mol
Monoisotopic Mass:
339.133g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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