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1198621-18-9 | 2-Pyridinecarboxylic acid, 5-[[(4-fluorophenyl)amino]methyl]-3-hydroxy-4-(hydroxymethyl)-, methyl ester
CAS No: 1198621-18-9 Catalog No: AG000PSD MDL No:
Product Description
Catalog Number:
AG000PSD
Chemical Name:
2-Pyridinecarboxylic acid, 5-[[(4-fluorophenyl)amino]methyl]-3-hydroxy-4-(hydroxymethyl)-, methyl ester
CAS Number:
1198621-18-9
Molecular Formula:
C15H15FN2O4
Molecular Weight:
306.2890
IUPAC Name:
methyl 5-[(4-fluoroanilino)methyl]-3-hydroxy-4-(hydroxymethyl)pyridine-2-carboxylate
InChI:
InChI=1S/C15H15FN2O4/c1-22-15(21)13-14(20)12(8-19)9(7-18-13)6-17-11-4-2-10(16)3-5-11/h2-5,7,17,19-20H,6,8H2,1H3
InChI Key:
NUKZPZYSWJYOAO-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncc(c(c1O)CO)CNc1ccc(cc1)F
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.102g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
306.293g/mol
Monoisotopic Mass:
306.102g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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