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1261912-75-7 | 2-Pyridinecarboxylic acid, 5-[3-(aminocarbonyl)phenyl]-
CAS No: 1261912-75-7 Catalog No: AG000S53 MDL No:MFCD18317312
Product Description
Catalog Number:
AG000S53
Chemical Name:
2-Pyridinecarboxylic acid, 5-[3-(aminocarbonyl)phenyl]-
CAS Number:
1261912-75-7
Molecular Formula:
C13H10N2O3
Molecular Weight:
242.2301
MDL Number:
MFCD18317312
IUPAC Name:
5-(3-carbamoylphenyl)pyridine-2-carboxylic acid
InChI:
InChI=1S/C13H10N2O3/c14-12(16)9-3-1-2-8(6-9)10-4-5-11(13(17)18)15-7-10/h1-7H,(H2,14,16)(H,17,18)
InChI Key:
VBYWEEHDAOXFSY-UHFFFAOYSA-N
SMILES:
NC(=O)c1cccc(c1)c1ccc(nc1)C(=O)O
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.234g/mol
Monoisotopic Mass:
242.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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