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

C8H7BrClN — CID 67843076

IUPAC3-bromo-7-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESClC1CCc2cc(Br)cnc21
InChIInChI=1S/C8H7BrClN/c9-6-3-5-1-2-7(10)8(5)11-4-6/h3-4,7H,1-2H2
InChIKeyOOUWZODZBUKODH-UHFFFAOYSA-N
MW232.51 g/mol
LogP3.07
Rot. Bonds

About 3-bromo-7-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine

3-bromo-7-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 67843076) has the molecular formula C8H7BrClN and a molecular weight of 232.51 g/mol. Its IUPAC name is 3-bromo-7-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name3-bromo-7-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID67843076
Molecular FormulaC8H7BrClN
Molecular Weight232.51 g/mol
Exact Mass230.95
IUPAC Name3-bromo-7-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESClC1CCc2cc(Br)cnc21
InChIInChI=1S/C8H7BrClN/c9-6-3-5-1-2-7(10)8(5)11-4-6/h3-4,7H,1-2H2
InChIKeyOOUWZODZBUKODH-UHFFFAOYSA-N
XLogP3.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.51
LogP ≤ 53.07
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 3-bromo-7-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of 3-bromo-7-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 67843076) is 3-bromo-7-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for 3-bromo-7-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for 3-bromo-7-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine is ClC1CCc2cc(Br)cnc21.
What is the InChIKey of 3-bromo-7-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is OOUWZODZBUKODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClN/c9-6-3-5-1-2-7(10)8(5)11-4-6/h3-4,7H,1-2H2.
What are the key properties of 3-bromo-7-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine?
3-bromo-7-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 232.51 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 67843076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).