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1261229-85-9 | 4-Piperidinecarboxylic acid, 1-(5-fluoro-2-pyrimidinyl)-
CAS No: 1261229-85-9 Catalog No: AG000RNU MDL No:MFCD18380086
Product Description
Catalog Number:
AG000RNU
Chemical Name:
4-Piperidinecarboxylic acid, 1-(5-fluoro-2-pyrimidinyl)-
CAS Number:
1261229-85-9
Molecular Formula:
C10H12FN3O2
Molecular Weight:
225.2196
MDL Number:
MFCD18380086
IUPAC Name:
1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid
InChI:
InChI=1S/C10H12FN3O2/c11-8-5-12-10(13-6-8)14-3-1-7(2-4-14)9(15)16/h5-7H,1-4H2,(H,15,16)
InChI Key:
ILGZYHVUMZANCR-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCN(CC1)c1ncc(cn1)F
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.091g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.223g/mol
Monoisotopic Mass:
225.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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