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893612-27-6 | 2-Pyrazinamine,5-bromo-3-[2-(2-pyridinyl)-1-pyrrolidinyl]-
CAS No: 893612-27-6 Catalog No: AG003X5I MDL No:MFCD08056177
Product Description
Catalog Number:
AG003X5I
Chemical Name:
2-Pyrazinamine,5-bromo-3-[2-(2-pyridinyl)-1-pyrrolidinyl]-
CAS Number:
893612-27-6
Molecular Formula:
C13H14BrN5
Molecular Weight:
320.1878
MDL Number:
MFCD08056177
IUPAC Name:
5-bromo-3-(2-pyridin-2-ylpyrrolidin-1-yl)pyrazin-2-amine
InChI:
InChI=1S/C13H14BrN5/c14-11-8-17-12(15)13(18-11)19-7-3-5-10(19)9-4-1-2-6-16-9/h1-2,4,6,8,10H,3,5,7H2,(H2,15,17)
InChI Key:
JQCDKLCWAMRVAS-UHFFFAOYSA-N
SMILES:
Brc1cnc(c(n1)N1CCCC1c1ccccn1)N
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.043g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.194g/mol
Monoisotopic Mass:
319.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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