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Home > Pyridines > 1239787-61-1
1239787-61-1 | 3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridin-2(1H)-one
CAS No: 1239787-61-1 Catalog No: AG00HHGQ MDL No:MFCD16875009
Product Description
Catalog Number:
AG00HHGQ
Chemical Name:
3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridin-2(1H)-one
CAS Number:
1239787-61-1
Molecular Formula:
C12H8N4O2
Molecular Weight:
240.2175
MDL Number:
MFCD16875009
IUPAC Name:
3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one
InChI:
InChI=1S/C12H8N4O2/c17-11-9(2-1-5-14-11)12-15-10(16-18-12)8-3-6-13-7-4-8/h1-7H,(H,14,17)
InChI Key:
RRMYAZNBQAOEQY-UHFFFAOYSA-N
SMILES:
O=c1[nH]cccc1c1onc(n1)c1ccncc1
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.065g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.222g/mol
Monoisotopic Mass:
240.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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