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Home > Pyridines > 1609388-48-8
1609388-48-8 | 4-{5-[(2S)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}pyridine dihydrochloride
CAS No: 1609388-48-8 Catalog No: AG00J2PX MDL No:MFCD28024775
Product Description
Catalog Number:
AG00J2PX
Chemical Name:
4-{5-[(2S)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}pyridine dihydrochloride
CAS Number:
1609388-48-8
Molecular Formula:
C11H14Cl2N4O
Molecular Weight:
289.1611
MDL Number:
MFCD28024775
IUPAC Name:
3-pyridin-4-yl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole;dihydrochloride
InChI:
InChI=1S/C11H12N4O.2ClH/c1-2-9(13-5-1)11-14-10(15-16-11)8-3-6-12-7-4-8;;/h3-4,6-7,9,13H,1-2,5H2;2*1H/t9-;;/m0../s1
InChI Key:
FRLRQVMGYGXONE-WWPIYYJJSA-N
SMILES:
C1CN[C@@H](C1)c1onc(n1)c1ccncc1.Cl.Cl
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
288.054g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
289.16g/mol
Monoisotopic Mass:
288.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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