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Also known as: 1190363-46-2, 1397526-07-6, 5h-cyclohepta[b]pyridin-5-one, 6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-9-[[tris(1-methylethyl)silyl]oxy]-, (6r,9r)-, Schembl15674591, 6-(2,3-difluorophenyl)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydrocyclohepta[b]pyridin-5-one
Molecular Formula
C25H33F2NO2Si
Molecular Weight
445.6  g/mol
InChI Key
AIVVBBARCYSYDU-UHFFFAOYSA-N

CAS 1190363-46-2
1 2D Structure

CAS 1190363-46-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-(2,3-difluorophenyl)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydrocyclohepta[b]pyridin-5-one
2.1.2 InChI
InChI=1S/C25H33F2NO2Si/c1-15(2)31(16(3)4,17(5)6)30-22-13-12-19(18-9-7-11-21(26)23(18)27)25(29)20-10-8-14-28-24(20)22/h7-11,14-17,19,22H,12-13H2,1-6H3
2.1.3 InChI Key
AIVVBBARCYSYDU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)[Si](C(C)C)(C(C)C)OC1CCC(C(=O)C2=C1N=CC=C2)C3=C(C(=CC=C3)F)F
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1190363-46-2

2. 1397526-07-6

3. 5h-cyclohepta[b]pyridin-5-one, 6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-9-[[tris(1-methylethyl)silyl]oxy]-, (6r,9r)-

4. Schembl15674591

5. 6-(2,3-difluorophenyl)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydrocyclohepta[b]pyridin-5-one

2.3 Create Date
2014-08-04
3 Chemical and Physical Properties
Molecular Weight 445.6 g/mol
Molecular Formula C25H33F2NO2Si
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass445.22486215 g/mol
Monoisotopic Mass445.22486215 g/mol
Topological Polar Surface Area39.2 Ų
Heavy Atom Count31
Formal Charge0
Complexity593
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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