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Home > Bromides > 1269024-72-7
1269024-72-7 | 1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 5-bromo-6-ethyl-3-hydroxy-1-methyl-, ethyl ester
CAS No: 1269024-72-7 Catalog No: AG000TFU MDL No:
Product Description
Catalog Number:
AG000TFU
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 5-bromo-6-ethyl-3-hydroxy-1-methyl-, ethyl ester
CAS Number:
1269024-72-7
Molecular Formula:
C13H15BrN2O3
Molecular Weight:
327.1738
IUPAC Name:
ethyl 5-bromo-6-ethyl-3-hydroxy-1-methylpyrrolo[2,3-b]pyridine-2-carboxylate
InChI:
InChI=1S/C13H15BrN2O3/c1-4-9-8(14)6-7-11(17)10(13(18)19-5-2)16(3)12(7)15-9/h6,17H,4-5H2,1-3H3
InChI Key:
YIRVETACYCBFSA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1n(C)c2c(c1O)cc(c(n2)CC)Br
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.027g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.178g/mol
Monoisotopic Mass:
326.027g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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