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1190322-20-3 | 1H-Pyrrolo[2,3-b]pyridin-3-amine, 5-methoxy-
CAS No: 1190322-20-3 Catalog No: AG000I14 MDL No:
Product Description
Catalog Number:
AG000I14
Chemical Name:
1H-Pyrrolo[2,3-b]pyridin-3-amine, 5-methoxy-
CAS Number:
1190322-20-3
Molecular Formula:
C8H9N3O
Molecular Weight:
163.1766
IUPAC Name:
5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-amine
InChI:
InChI=1S/C8H9N3O/c1-12-5-2-6-7(9)4-11-8(6)10-3-5/h2-4H,9H2,1H3,(H,10,11)
InChI Key:
NHHBWDVLZBXAHT-UHFFFAOYSA-N
SMILES:
COc1cc2c(N)c[nH]c2nc1
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.075g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
163.18g/mol
Monoisotopic Mass:
163.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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