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1019388-92-1 | 2-(Pyridin-3-ylamino)isonicotinic acid
CAS No: 1019388-92-1 Catalog No: AG01FCI4 MDL No:
Product Description
Catalog Number:
AG01FCI4
Chemical Name:
2-(Pyridin-3-ylamino)isonicotinic acid
CAS Number:
1019388-92-1
Molecular Formula:
C11H9N3O2
Molecular Weight:
215.2081
IUPAC Name:
2-(pyridin-3-ylamino)pyridine-4-carboxylic acid
InChI:
InChI=1S/C11H9N3O2/c15-11(16)8-3-5-13-10(6-8)14-9-2-1-4-12-7-9/h1-7H,(H,13,14)(H,15,16)
InChI Key:
FDINIMSIYYSFRS-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnc(c1)Nc1cccnc1
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.212g/mol
Monoisotopic Mass:
215.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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