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Home > Pyridines > 625386-57-4
625386-57-4 | 1H-Pyrrolo[2,3-b]pyridine, 3-(1-piperazinylmethyl)-
CAS No: 625386-57-4 Catalog No: AG00EJTX MDL No:MFCD09999196
Product Description
Catalog Number:
AG00EJTX
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 3-(1-piperazinylmethyl)-
CAS Number:
625386-57-4
Molecular Formula:
C12H16N4
Molecular Weight:
216.2822
MDL Number:
MFCD09999196
IUPAC Name:
3-(piperazin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C12H16N4/c1-2-11-10(8-15-12(11)14-3-1)9-16-6-4-13-5-7-16/h1-3,8,13H,4-7,9H2,(H,14,15)
InChI Key:
MCGNRNJEWMZYON-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)Cc1c[nH]c2c1cccn2
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.288g/mol
Monoisotopic Mass:
216.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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