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259807-47-1 | 5-Pyrimidinecarboxylic acid, 2-(4-pyridinyl)-
CAS No: 259807-47-1 Catalog No: AG002R9J MDL No:MFCD09863218
Product Description
Catalog Number:
AG002R9J
Chemical Name:
5-Pyrimidinecarboxylic acid, 2-(4-pyridinyl)-
CAS Number:
259807-47-1
Molecular Formula:
C10H7N3O2
Molecular Weight:
201.1815
MDL Number:
MFCD09863218
IUPAC Name:
2-pyridin-4-ylpyrimidine-5-carboxylic acid
InChI:
InChI=1S/C10H7N3O2/c14-10(15)8-5-12-9(13-6-8)7-1-3-11-4-2-7/h1-6H,(H,14,15)
InChI Key:
GTKJGOOMSODGOU-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc(nc1)c1ccncc1
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.054g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.185g/mol
Monoisotopic Mass:
201.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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