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1201663-99-1 | 2-Pyridinecarboxylic acid, 6-[[[(4-fluorophenyl)methyl]amino]methyl]-, methyl ester
CAS No: 1201663-99-1 Catalog No: AG000QG5 MDL No:
Product Description
Catalog Number:
AG000QG5
Chemical Name:
2-Pyridinecarboxylic acid, 6-[[[(4-fluorophenyl)methyl]amino]methyl]-, methyl ester
CAS Number:
1201663-99-1
Molecular Formula:
C15H15FN2O2
Molecular Weight:
274.2902
IUPAC Name:
methyl 6-[[(4-fluorophenyl)methylamino]methyl]pyridine-2-carboxylate
InChI:
InChI=1S/C15H15FN2O2/c1-20-15(19)14-4-2-3-13(18-14)10-17-9-11-5-7-12(16)8-6-11/h2-8,17H,9-10H2,1H3
InChI Key:
VEDOQFDZRYMPQM-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(n1)CNCc1ccc(cc1)F
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.112g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.295g/mol
Monoisotopic Mass:
274.112g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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