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100592-82-3 | Pyrazolo[1,5-a]pyridine-3-carbonitrile, 2-(methylthio)-
CAS No: 100592-82-3 Catalog No: AG0002FG MDL No:
Product Description
Catalog Number:
AG0002FG
Chemical Name:
Pyrazolo[1,5-a]pyridine-3-carbonitrile, 2-(methylthio)-
CAS Number:
100592-82-3
Molecular Formula:
C9H7N3S
Molecular Weight:
189.2370
IUPAC Name:
2-methylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile
InChI:
InChI=1S/C9H7N3S/c1-13-9-7(6-10)8-4-2-3-5-12(8)11-9/h2-5H,1H3
InChI Key:
MIGQLPARWDRCNG-UHFFFAOYSA-N
SMILES:
CSc1nn2c(c1C#N)cccc2
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.036g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.236g/mol
Monoisotopic Mass:
189.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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