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767342-16-5 | Pyrazinamine, 5-bromo-N-[2-(4-pyridinyl)ethyl]-
CAS No: 767342-16-5 Catalog No: AG005IIK MDL No:
Product Description
Catalog Number:
AG005IIK
Chemical Name:
Pyrazinamine, 5-bromo-N-[2-(4-pyridinyl)ethyl]-
CAS Number:
767342-16-5
Molecular Formula:
C11H11BrN4
Molecular Weight:
279.1358
IUPAC Name:
5-bromo-N-(2-pyridin-4-ylethyl)pyrazin-2-amine
InChI:
InChI=1S/C11H11BrN4/c12-10-7-16-11(8-15-10)14-6-3-9-1-4-13-5-2-9/h1-2,4-5,7-8H,3,6H2,(H,14,16)
InChI Key:
NTDPEUBYRLSEKR-UHFFFAOYSA-N
SMILES:
Brc1cnc(cn1)NCCc1ccncc1
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.017g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.141g/mol
Monoisotopic Mass:
278.017g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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