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1237518-65-8 | 3-Pyridinecarboxylic acid, 5-(2-pyrimidinyl)-, methyl ester
CAS No: 1237518-65-8 Catalog No: AG000L0P MDL No:
Product Description
Catalog Number:
AG000L0P
Chemical Name:
3-Pyridinecarboxylic acid, 5-(2-pyrimidinyl)-, methyl ester
CAS Number:
1237518-65-8
Molecular Formula:
C11H9N3O2
Molecular Weight:
215.2081
IUPAC Name:
methyl 5-pyrimidin-2-ylpyridine-3-carboxylate
InChI:
InChI=1S/C11H9N3O2/c1-16-11(15)9-5-8(6-12-7-9)10-13-3-2-4-14-10/h2-7H,1H3
InChI Key:
RJCQONYNRJUNKH-UHFFFAOYSA-N
SMILES:
COC(=O)c1cncc(c1)c1ncccn1
Properties
Complexity:
241
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:
0
Isotope Atom Count:
0
Molecular Weight:
215.212g/mol
Monoisotopic Mass:
215.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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