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100478-04-4 | 1H-Pyrazolo[4,3-b]pyridine-6-carboxylic acid, 7-chloro-, ethyl ester
CAS No: 100478-04-4 Catalog No: AG000230 MDL No:MFCD12964051
Product Description
Catalog Number:
AG000230
Chemical Name:
1H-Pyrazolo[4,3-b]pyridine-6-carboxylic acid, 7-chloro-, ethyl ester
CAS Number:
100478-04-4
Molecular Formula:
C9H8ClN3O2
Molecular Weight:
225.6317
MDL Number:
MFCD12964051
IUPAC Name:
ethyl 7-chloro-1H-pyrazolo[4,3-b]pyridine-6-carboxylate
InChI:
InChI=1S/C9H8ClN3O2/c1-2-15-9(14)5-3-11-6-4-12-13-8(6)7(5)10/h3-4H,2H2,1H3,(H,12,13)
InChI Key:
XIHDSBGJZZFOSZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc2c(c1Cl)[nH]nc2
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.031g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.632g/mol
Monoisotopic Mass:
225.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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