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832088-29-6 | 3-Pyridinecarboxylic acid, 6-[4-(ethoxycarbonyl)-1-piperidinyl]-5-fluoro-
CAS No: 832088-29-6 Catalog No: AG004ZYZ MDL No:
Product Description
Catalog Number:
AG004ZYZ
Chemical Name:
3-Pyridinecarboxylic acid, 6-[4-(ethoxycarbonyl)-1-piperidinyl]-5-fluoro-
CAS Number:
832088-29-6
Molecular Formula:
C14H17FN2O4
Molecular Weight:
296.2942
IUPAC Name:
6-(4-ethoxycarbonylpiperidin-1-yl)-5-fluoropyridine-3-carboxylic acid
InChI:
InChI=1S/C14H17FN2O4/c1-2-21-14(20)9-3-5-17(6-4-9)12-11(15)7-10(8-16-12)13(18)19/h7-9H,2-6H2,1H3,(H,18,19)
InChI Key:
IYEAUUVSWZYOMP-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCN(CC1)c1ncc(cc1F)C(=O)O
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.117g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.298g/mol
Monoisotopic Mass:
296.117g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
79.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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