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Home > Pyridines > 866545-87-1
866545-87-1 | 1H-Pyrrolo[2,3-b]pyridine, 3-(3,4-dimethoxyphenyl)-
CAS No: 866545-87-1 Catalog No: AG004OII MDL No:
Product Description
Catalog Number:
AG004OII
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 3-(3,4-dimethoxyphenyl)-
CAS Number:
866545-87-1
Molecular Formula:
C15H14N2O2
Molecular Weight:
254.2839
IUPAC Name:
3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C15H14N2O2/c1-18-13-6-5-10(8-14(13)19-2)12-9-17-15-11(12)4-3-7-16-15/h3-9H,1-2H3,(H,16,17)
InChI Key:
DPGYSJOJGFCBRN-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)c1c[nH]c2c1cccn2
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.289g/mol
Monoisotopic Mass:
254.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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