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Home > Pyridines > 1016851-38-9
1016851-38-9 | 3-(1,4-diazepane-1-carbonyl)pyridin-2-ol
CAS No: 1016851-38-9 Catalog No: AG019WRL MDL No:MFCD09950428
Product Description
Catalog Number:
AG019WRL
Chemical Name:
3-(1,4-diazepane-1-carbonyl)pyridin-2-ol
CAS Number:
1016851-38-9
Molecular Formula:
C11H15N3O2
Molecular Weight:
221.2557
MDL Number:
MFCD09950428
IUPAC Name:
3-(1,4-diazepane-1-carbonyl)-1H-pyridin-2-one
InChI:
InChI=1S/C11H15N3O2/c15-10-9(3-1-5-13-10)11(16)14-7-2-4-12-6-8-14/h1,3,5,12H,2,4,6-8H2,(H,13,15)
InChI Key:
SYGIKDPHVCPEGL-UHFFFAOYSA-N
SMILES:
Oc1ncccc1C(=O)N1CCNCCC1
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.26g/mol
Monoisotopic Mass:
221.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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