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1259329-54-8 | 2-Pyridinecarboxylic acid, 3,6-dichloro-4-[(3-pyridinylmethyl)amino]-, methyl ester
CAS No: 1259329-54-8 Catalog No: AG000QKH MDL No:
Product Description
Catalog Number:
AG000QKH
Chemical Name:
2-Pyridinecarboxylic acid, 3,6-dichloro-4-[(3-pyridinylmethyl)amino]-, methyl ester
CAS Number:
1259329-54-8
Molecular Formula:
C13H11Cl2N3O2
Molecular Weight:
312.1513
IUPAC Name:
methyl 3,6-dichloro-4-(pyridin-3-ylmethylamino)pyridine-2-carboxylate
InChI:
InChI=1S/C13H11Cl2N3O2/c1-20-13(19)12-11(15)9(5-10(14)18-12)17-7-8-3-2-4-16-6-8/h2-6H,7H2,1H3,(H,17,18)
InChI Key:
IKJRKHUCYWHTJX-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(Cl)cc(c1Cl)NCc1cccnc1
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
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