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1190312-61-8 | 1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 6-cyano-2,3-dihydro-2-oxo-, methyl ester
CAS No: 1190312-61-8 Catalog No: AG000HJO MDL No:
Product Description
Catalog Number:
AG000HJO
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 6-cyano-2,3-dihydro-2-oxo-, methyl ester
CAS Number:
1190312-61-8
Molecular Formula:
C10H7N3O3
Molecular Weight:
217.1809
IUPAC Name:
methyl 6-cyano-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-4-carboxylate
InChI:
InChI=1S/C10H7N3O3/c1-16-10(15)7-2-5(4-11)12-9-6(7)3-8(14)13-9/h2H,3H2,1H3,(H,12,13,14)
InChI Key:
HRHZSDABMWZLCH-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C#N)nc2c1CC(=O)N2
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.049g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.184g/mol
Monoisotopic Mass:
217.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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