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1237518-66-9 | 3-Pyridinecarboxylic acid, 5-(2-pyrimidinyl)-
CAS No: 1237518-66-9 Catalog No: AG000L1J MDL No:
Product Description
Catalog Number:
AG000L1J
Chemical Name:
3-Pyridinecarboxylic acid, 5-(2-pyrimidinyl)-
CAS Number:
1237518-66-9
Molecular Formula:
C10H7N3O2
Molecular Weight:
201.1815
IUPAC Name:
5-pyrimidin-2-ylpyridine-3-carboxylic acid
InChI:
InChI=1S/C10H7N3O2/c14-10(15)8-4-7(5-11-6-8)9-12-2-1-3-13-9/h1-6H,(H,14,15)
InChI Key:
JDCPMYDSGNTYTL-UHFFFAOYSA-N
SMILES:
OC(=O)c1cncc(c1)c1ncccn1
Properties
Complexity:
229
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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