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1198621-76-9 | 2-Pyridinecarboxylic acid, 5-[[[(4-fluorophenyl)methyl]amino]methyl]-3-hydroxy-4-methyl-, methyl ester
CAS No: 1198621-76-9 Catalog No: AG000PSC MDL No:
Product Description
Catalog Number:
AG000PSC
Chemical Name:
2-Pyridinecarboxylic acid, 5-[[[(4-fluorophenyl)methyl]amino]methyl]-3-hydroxy-4-methyl-, methyl ester
CAS Number:
1198621-76-9
Molecular Formula:
C16H17FN2O3
Molecular Weight:
304.3162
IUPAC Name:
methyl 5-[[(4-fluorophenyl)methylamino]methyl]-3-hydroxy-4-methylpyridine-2-carboxylate
InChI:
InChI=1S/C16H17FN2O3/c1-10-12(9-19-14(15(10)20)16(21)22-2)8-18-7-11-3-5-13(17)6-4-11/h3-6,9,18,20H,7-8H2,1-2H3
InChI Key:
NIQGUQHFQIYPBH-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncc(c(c1O)C)CNCc1ccc(cc1)F
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.122g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
304.321g/mol
Monoisotopic Mass:
304.122g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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