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79611-44-2 | 5-Amino-[3,3'-bipyridin]-6(1H)-one
CAS No: 79611-44-2 Catalog No: AG00519O MDL No:MFCD22194799
Product Description
Catalog Number:
AG00519O
Chemical Name:
5-Amino-[3,3'-bipyridin]-6(1H)-one
CAS Number:
79611-44-2
Molecular Formula:
C10H9N3O
Molecular Weight:
187.1980
MDL Number:
MFCD22194799
IUPAC Name:
3-amino-5-pyridin-3-yl-1H-pyridin-2-one
InChI:
InChI=1S/C10H9N3O/c11-9-4-8(6-13-10(9)14)7-2-1-3-12-5-7/h1-6H,11H2,(H,13,14)
InChI Key:
LHWAVCJDVQZDFB-UHFFFAOYSA-N
SMILES:
O=c1[nH]cc(cc1N)c1cccnc1
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.075g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.202g/mol
Monoisotopic Mass:
187.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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