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Home > Bromides > 1216671-75-8
1216671-75-8 | 5-Bromo-6-(piperidin-4-yloxy)nicotinic acid
CAS No: 1216671-75-8 Catalog No: AG01FAUZ MDL No:
Product Description
Catalog Number:
AG01FAUZ
Chemical Name:
5-Bromo-6-(piperidin-4-yloxy)nicotinic acid
CAS Number:
1216671-75-8
Molecular Formula:
C11H13BrN2O3
Molecular Weight:
301.1365
IUPAC Name:
5-bromo-6-piperidin-4-yloxypyridine-3-carboxylic acid
InChI:
InChI=1S/C11H13BrN2O3/c12-9-5-7(11(15)16)6-14-10(9)17-8-1-3-13-4-2-8/h5-6,8,13H,1-4H2,(H,15,16)
InChI Key:
SYWVYIPMLSQMNM-UHFFFAOYSA-N
SMILES:
Brc1cc(cnc1OC1CCNCC1)C(=O)O
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.011g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
301.14g/mol
Monoisotopic Mass:
300.011g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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