5-chloro-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine

C14H12ClN — CID 12519859

IUPAC5-chloro-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESClC1CCc2nc(-c3ccccc3)ccc21
InChIInChI=1S/C14H12ClN/c15-12-7-9-14-11(12)6-8-13(16-14)10-4-2-1-3-5-10/h1-6,8,12H,7,9H2
InChIKeyYCKBBXALSYBDBU-UHFFFAOYSA-N
MW229.71 g/mol
LogP3.97
Rot. Bonds1

About 5-chloro-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine

5-chloro-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 12519859) has the molecular formula C14H12ClN and a molecular weight of 229.71 g/mol. Its IUPAC name is 5-chloro-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name5-chloro-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID12519859
Molecular FormulaC14H12ClN
Molecular Weight229.71 g/mol
Exact Mass229.07
IUPAC Name5-chloro-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESClC1CCc2nc(-c3ccccc3)ccc21
InChIInChI=1S/C14H12ClN/c15-12-7-9-14-11(12)6-8-13(16-14)10-4-2-1-3-5-10/h1-6,8,12H,7,9H2
InChIKeyYCKBBXALSYBDBU-UHFFFAOYSA-N
XLogP3.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of 5-chloro-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 12519859) is 5-chloro-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for 5-chloro-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for 5-chloro-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine is ClC1CCc2nc(-c3ccccc3)ccc21.
What is the InChIKey of 5-chloro-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is YCKBBXALSYBDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN/c15-12-7-9-14-11(12)6-8-13(16-14)10-4-2-1-3-5-10/h1-6,8,12H,7,9H2.
What are the key properties of 5-chloro-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine?
5-chloro-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 229.71 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 12519859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).