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858116-85-5 | 1H-Pyrrolo[2,3-b]pyridin-5-amine, N-phenyl-
CAS No: 858116-85-5 Catalog No: AG004XTY MDL No:
Product Description
Catalog Number:
AG004XTY
Chemical Name:
1H-Pyrrolo[2,3-b]pyridin-5-amine, N-phenyl-
CAS Number:
858116-85-5
Molecular Formula:
C13H11N3
Molecular Weight:
209.2465
IUPAC Name:
N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine
InChI:
InChI=1S/C13H11N3/c1-2-4-11(5-3-1)16-12-8-10-6-7-14-13(10)15-9-12/h1-9,16H,(H,14,15)
InChI Key:
BWWVHFFBJATQFG-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Nc1cnc2c(c1)cc[nH]2
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.252g/mol
Monoisotopic Mass:
209.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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