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858117-67-6 | 1H-Pyrrolo[2,3-b]pyridine, 4-bromo-3-[(6-methoxy-2-pyridinyl)methyl]-
CAS No: 858117-67-6 Catalog No: AG004XTP MDL No:
Product Description
Catalog Number:
AG004XTP
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 4-bromo-3-[(6-methoxy-2-pyridinyl)methyl]-
CAS Number:
858117-67-6
Molecular Formula:
C14H12BrN3O
Molecular Weight:
318.1686
IUPAC Name:
4-bromo-3-[(6-methoxypyridin-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C14H12BrN3O/c1-19-12-4-2-3-10(18-12)7-9-8-17-14-13(9)11(15)5-6-16-14/h2-6,8H,7H2,1H3,(H,16,17)
InChI Key:
LVQVTHGYUHLBKD-UHFFFAOYSA-N
SMILES:
COc1cccc(n1)Cc1c[nH]c2c1c(Br)ccn2
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.016g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.174g/mol
Monoisotopic Mass:
317.016g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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