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1259329-30-0 | 2-Pyridinecarboxylic acid, 3,6-dichloro-4-[[(3-methyl-2-pyridinyl)methyl]amino]-, methyl ester
CAS No: 1259329-30-0 Catalog No: AG000QKK MDL No:
Product Description
Catalog Number:
AG000QKK
Chemical Name:
2-Pyridinecarboxylic acid, 3,6-dichloro-4-[[(3-methyl-2-pyridinyl)methyl]amino]-, methyl ester
CAS Number:
1259329-30-0
Molecular Formula:
C14H13Cl2N3O2
Molecular Weight:
326.1779
IUPAC Name:
methyl 3,6-dichloro-4-[(3-methylpyridin-2-yl)methylamino]pyridine-2-carboxylate
InChI:
InChI=1S/C14H13Cl2N3O2/c1-8-4-3-5-17-10(8)7-18-9-6-11(15)19-13(12(9)16)14(20)21-2/h3-6H,7H2,1-2H3,(H,18,19)
InChI Key:
BIUKRTGSWOFVGT-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(Cl)cc(c1Cl)NCc1ncccc1C
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.038g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.177g/mol
Monoisotopic Mass:
325.038g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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