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Home > Pyridines > 127792-75-0
127792-75-0 | 5H-Pyrrolo[3,2-b]pyridin-5-one, 1,4-dihydro-3-(1,2,3,6-tetrahydro-4-pyridinyl)-
CAS No: 127792-75-0 Catalog No: AG000XF4 MDL No:
Product Description
Catalog Number:
AG000XF4
Chemical Name:
5H-Pyrrolo[3,2-b]pyridin-5-one, 1,4-dihydro-3-(1,2,3,6-tetrahydro-4-pyridinyl)-
CAS Number:
127792-75-0
Molecular Formula:
C12H13N3O
Molecular Weight:
215.2511
IUPAC Name:
3-(1,2,3,6-tetrahydropyridin-4-yl)-1,4-dihydropyrrolo[3,2-b]pyridin-5-one
InChI:
InChI=1S/C12H13N3O/c16-11-2-1-10-12(15-11)9(7-14-10)8-3-5-13-6-4-8/h1-3,7,13-14H,4-6H2,(H,15,16)
InChI Key:
PJYVGMRFPFNZCT-UHFFFAOYSA-N
SMILES:
O=c1ccc2c([nH]1)c(c[nH]2)C1=CCNCC1
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
215.256g/mol
Monoisotopic Mass:
215.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
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