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155630-03-8 | 2-Pyridinamine, 5-bromo-3-(1H-pyrrol-1-yl)-
CAS No: 155630-03-8 Catalog No: AG001O2M MDL No:MFCD08706424
Product Description
Catalog Number:
AG001O2M
Chemical Name:
2-Pyridinamine, 5-bromo-3-(1H-pyrrol-1-yl)-
CAS Number:
155630-03-8
Molecular Formula:
C9H8BrN3
Molecular Weight:
238.0839
MDL Number:
MFCD08706424
IUPAC Name:
5-bromo-3-pyrrol-1-ylpyridin-2-amine
InChI:
InChI=1S/C9H8BrN3/c10-7-5-8(9(11)12-6-7)13-3-1-2-4-13/h1-6H,(H2,11,12)
InChI Key:
WCKNBUSVKFPHEW-UHFFFAOYSA-N
SMILES:
Brc1cnc(c(c1)n1cccc1)N
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.99g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.088g/mol
Monoisotopic Mass:
236.99g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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