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1219201-10-1 | 5-Bromo-2-(piperidin-4-yloxy)nicotinic acid
CAS No: 1219201-10-1 Catalog No: AG01FAV1 MDL No:
Product Description
Catalog Number:
AG01FAV1
Chemical Name:
5-Bromo-2-(piperidin-4-yloxy)nicotinic acid
CAS Number:
1219201-10-1
Molecular Formula:
C11H13BrN2O3
Molecular Weight:
301.1365
IUPAC Name:
5-bromo-2-piperidin-4-yloxypyridine-3-carboxylic acid
InChI:
InChI=1S/C11H13BrN2O3/c12-7-5-9(11(15)16)10(14-6-7)17-8-1-3-13-4-2-8/h5-6,8,13H,1-4H2,(H,15,16)
InChI Key:
VXMXIRUDQBAEQD-UHFFFAOYSA-N
SMILES:
Brc1cnc(c(c1)C(=O)O)OC1CCNCC1
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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