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Home > Bromides > 1396779-99-9
1396779-99-9 | 1H-Pyrazolo[3,4-b]pyridine-4-carboxylic acid, 6-bromo-3-methyl-, ethyl ester
CAS No: 1396779-99-9 Catalog No: AG001BHE MDL No:MFCD27987706
Product Description
Catalog Number:
AG001BHE
Chemical Name:
1H-Pyrazolo[3,4-b]pyridine-4-carboxylic acid, 6-bromo-3-methyl-, ethyl ester
CAS Number:
1396779-99-9
Molecular Formula:
C10H10BrN3O2
Molecular Weight:
284.1093
MDL Number:
MFCD27987706
IUPAC Name:
ethyl 6-bromo-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylate
InChI:
InChI=1S/C10H10BrN3O2/c1-3-16-10(15)6-4-7(11)12-9-8(6)5(2)13-14-9/h4H,3H2,1-2H3,(H,12,13,14)
InChI Key:
VSQRAULZZFPOEY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(Br)nc2c1c(C)n[nH]2
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.996g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.113g/mol
Monoisotopic Mass:
282.996g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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