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1256817-19-2 | 1H-Pyrazolo[3,4-b]pyridine-3-carboxylic acid, 5-fluoro-, methyl ester
CAS No: 1256817-19-2 Catalog No: AG000OFG MDL No:
Product Description
Catalog Number:
AG000OFG
Chemical Name:
1H-Pyrazolo[3,4-b]pyridine-3-carboxylic acid, 5-fluoro-, methyl ester
CAS Number:
1256817-19-2
Molecular Formula:
C8H6FN3O2
Molecular Weight:
195.1505
IUPAC Name:
methyl 5-fluoro-2H-pyrazolo[3,4-b]pyridine-3-carboxylate
InChI:
InChI=1S/C8H6FN3O2/c1-14-8(13)6-5-2-4(9)3-10-7(5)12-11-6/h2-3H,1H3,(H,10,11,12)
InChI Key:
LTLCSMUVOGRSBX-UHFFFAOYSA-N
SMILES:
COC(=O)c1n[nH]c2c1cc(F)cn2
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.044g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.153g/mol
Monoisotopic Mass:
195.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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