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Home > Bromides > 1216952-10-1
1216952-10-1 | 5-Bromo-6-piperidin-1-ylnicotinic acid
CAS No: 1216952-10-1 Catalog No: AG01FCKK MDL No:
Product Description
Catalog Number:
AG01FCKK
Chemical Name:
5-Bromo-6-piperidin-1-ylnicotinic acid
CAS Number:
1216952-10-1
Molecular Formula:
C11H13BrN2O2
Molecular Weight:
285.1371
IUPAC Name:
5-bromo-6-piperidin-1-ylpyridine-3-carboxylic acid
InChI:
InChI=1S/C11H13BrN2O2/c12-9-6-8(11(15)16)7-13-10(9)14-4-2-1-3-5-14/h6-7H,1-5H2,(H,15,16)
InChI Key:
WHTXKQIQDFRMFN-UHFFFAOYSA-N
SMILES:
Brc1cc(cnc1N1CCCCC1)C(=O)O
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.016g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.141g/mol
Monoisotopic Mass:
284.016g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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