1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1H-cyclopenta[b]pyridine

2.1.2 InChI

InChI=1S/C8H7N/c1-3-7-4-2-6-9-8(7)5-1/h1-6,9H

2.1.3 InChI Key

FGFBEHFJSQBISW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC2=CC=CNC2=C1

2.2 Other Identifiers

2.2.1 UNII

ZY6KVZ3FQP

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 270-88-2

2. Pyrindine

3. Zy6kvz3fqp

4. 1h-cyclopenta(b)pyridine

5. 583-37-9

6. Cyclopentapyridine

7. Unii-zy6kvz3fqp

8. Schembl380666

9. Dtxsid00591862

10. Zinc39047179

11. Akos006352541

12. Ft-0694432

2.4 Create Date

2007-12-04

3 Chemical and Physical Properties

Molecular Formula	C₈H₇N
Molecular Weight	117.15 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	117.057849228 g/mol
Monoisotopic Mass	117.057849228 g/mol
Topological Polar Surface Area	15.8 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	101
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

CAS 270-88-2