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1190312-49-2 | 1H-Pyrrolo[3,2-b]pyridine-6-carbonitrile, 3-amino-
CAS No: 1190312-49-2 Catalog No: AG000P4E MDL No:
Product Description
Catalog Number:
AG000P4E
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-6-carbonitrile, 3-amino-
CAS Number:
1190312-49-2
Molecular Formula:
C8H6N4
Molecular Weight:
158.1600
IUPAC Name:
3-amino-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile
InChI:
InChI=1S/C8H6N4/c9-2-5-1-7-8(12-3-5)6(10)4-11-7/h1,3-4,11H,10H2
InChI Key:
PPQBIZMIVVQAEB-UHFFFAOYSA-N
SMILES:
N#Cc1cnc2c(c1)[nH]cc2N
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
158.164g/mol
Monoisotopic Mass:
158.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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