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1258632-39-1

1258632-39-1 | 2-Pyridinecarboxylic acid, 6-amino-3-(3-cyanophenyl)-

CAS No: 1258632-39-1 Catalog No: AG000OVY MDL No:MFCD18085742

Product Description

Catalog Number:
AG000OVY
Chemical Name:
2-Pyridinecarboxylic acid, 6-amino-3-(3-cyanophenyl)-
CAS Number:
1258632-39-1
Molecular Formula:
C13H9N3O2
Molecular Weight:
239.2295
MDL Number:
MFCD18085742
IUPAC Name:
6-amino-3-(3-cyanophenyl)pyridine-2-carboxylic acid
InChI:
InChI=1S/C13H9N3O2/c14-7-8-2-1-3-9(6-8)10-4-5-11(15)16-12(10)13(17)18/h1-6H,(H2,15,16)(H,17,18)
InChI Key:
JHMQDCMZDGDGPZ-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)c1ccc(nc1C(=O)O)N

Properties

Complexity:
363  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.069g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
239.234g/mol
Monoisotopic Mass:
239.069g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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