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1259329-41-3 | 2-Pyridinecarboxylic acid, 3,6-dichloro-4-[(2-pyridinylmethyl)amino]-, methyl ester
CAS No: 1259329-41-3 Catalog No: AG000QKI MDL No:
Product Description
Catalog Number:
AG000QKI
Chemical Name:
2-Pyridinecarboxylic acid, 3,6-dichloro-4-[(2-pyridinylmethyl)amino]-, methyl ester
CAS Number:
1259329-41-3
Molecular Formula:
C13H11Cl2N3O2
Molecular Weight:
312.1513
IUPAC Name:
methyl 3,6-dichloro-4-(pyridin-2-ylmethylamino)pyridine-2-carboxylate
InChI:
InChI=1S/C13H11Cl2N3O2/c1-20-13(19)12-11(15)9(6-10(14)18-12)17-7-8-4-2-3-5-16-8/h2-6H,7H2,1H3,(H,17,18)
InChI Key:
AIKXGAGNCYEARL-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(Cl)cc(c1Cl)NCc1ccccn1
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.023g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.15g/mol
Monoisotopic Mass:
311.023g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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