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1259329-94-6 | 2-Pyridinecarboxylic acid, 6-chloro-4-[(2-furanylmethyl)amino]-3-methyl-, methyl ester
CAS No: 1259329-94-6 Catalog No: AG000QKG MDL No:
Product Description
Catalog Number:
AG000QKG
Chemical Name:
2-Pyridinecarboxylic acid, 6-chloro-4-[(2-furanylmethyl)amino]-3-methyl-, methyl ester
CAS Number:
1259329-94-6
Molecular Formula:
C13H13ClN2O3
Molecular Weight:
280.7069
IUPAC Name:
methyl 6-chloro-4-(furan-2-ylmethylamino)-3-methylpyridine-2-carboxylate
InChI:
InChI=1S/C13H13ClN2O3/c1-8-10(15-7-9-4-3-5-19-9)6-11(14)16-12(8)13(17)18-2/h3-6H,7H2,1-2H3,(H,15,16)
InChI Key:
RXQNKWQFZDJCLE-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(Cl)cc(c1C)NCc1ccco1
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.061g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.708g/mol
Monoisotopic Mass:
280.061g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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