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Home > Bromides > 1216637-77-2
1216637-77-2 | 3-Pyridinecarboxylic acid, 5-bromo-6-(4-morpholinyl)-
CAS No: 1216637-77-2 Catalog No: AG0015J7 MDL No:MFCD11100063
Product Description
Catalog Number:
AG0015J7
Chemical Name:
3-Pyridinecarboxylic acid, 5-bromo-6-(4-morpholinyl)-
CAS Number:
1216637-77-2
Molecular Formula:
C10H11BrN2O3
Molecular Weight:
287.1099
MDL Number:
MFCD11100063
IUPAC Name:
5-bromo-6-morpholin-4-ylpyridine-3-carboxylic acid
InChI:
InChI=1S/C10H11BrN2O3/c11-8-5-7(10(14)15)6-12-9(8)13-1-3-16-4-2-13/h5-6H,1-4H2,(H,14,15)
InChI Key:
CDPWXVYHWVBXED-UHFFFAOYSA-N
SMILES:
Brc1cc(cnc1N1CCOCC1)C(=O)O
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.995g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.113g/mol
Monoisotopic Mass:
285.995g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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