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

C8H8ClN — CID 15012906

IUPAC2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESClc1ccc2c(n1)CCC2
InChIInChI=1S/C8H8ClN/c9-8-5-4-6-2-1-3-7(6)10-8/h4-5H,1-3H2
InChIKeyPBMLTRUXYZHCFT-UHFFFAOYSA-N
MW153.61 g/mol
LogP2.22
Rot. Bonds

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

2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 15012906) has the molecular formula C8H8ClN and a molecular weight of 153.61 g/mol. Its IUPAC name is 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID15012906
Molecular FormulaC8H8ClN
Molecular Weight153.61 g/mol
Exact Mass153.03
IUPAC Name2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESClc1ccc2c(n1)CCC2
InChIInChI=1S/C8H8ClN/c9-8-5-4-6-2-1-3-7(6)10-8/h4-5H,1-3H2
InChIKeyPBMLTRUXYZHCFT-UHFFFAOYSA-N
XLogP2.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 15012906) is 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine is Clc1ccc2c(n1)CCC2.
What is the InChIKey of 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is PBMLTRUXYZHCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN/c9-8-5-4-6-2-1-3-7(6)10-8/h4-5H,1-3H2.
What are the key properties of 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine?
2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 153.61 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 15012906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).