CAS 1150617-92-7

1 2D Structure

CAS 1150617-92-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-chloro-5,6-dihydrocyclopenta[b]pyridin-7-one

2.1.2 InChI

InChI=1S/C8H6ClNO/c9-7-4-2-5-1-3-6(11)8(5)10-7/h2,4H,1,3H2

2.1.3 InChI Key

LFTCYZANBKFQRY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC(=O)C2=C1C=CC(=N2)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1150617-92-7

2. 2-chloro-5h-cyclopenta[b]pyridin-7(6h)-one

3. 2-chloro-5h,6h,7h-cyclopenta[b]pyridin-7-one

4. 2-chloro-5,6-dihydro-7h-cyclopenta[b]pyridin-7-one

5. Mfcd12024557

6. Schembl527664

7. Dtxsid50654037

8. Lftcyzanbkfqry-uhfffaoysa-n

9. Akos015918772

10. Bs-50215

11. Sy156579

12. Cs-0308842

13. Ft-0651615

14. C91067

15. En300-135486

16. A803322

17. 7h-cyclopenta[b]pyridin-7-one, 2-chloro-5,6-dihydro-

18. Z1255439731

2.3 Create Date

2009-05-30

3 Chemical and Physical Properties

Molecular Formula	C₈H₆ClNO
Molecular Weight	167.59 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	30
Heavy Atom Count	11
Formal Charge	0
Complexity	183
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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