7-(2-bromocyclopentyl)-6,7-dihydro-5H-cyclopenta[b]pyridine

C13H16BrN — CID 79748412

IUPAC7-(2-bromocyclopentyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESBrC1CCCC1C1CCc2cccnc21
InChIInChI=1S/C13H16BrN/c14-12-5-1-4-10(12)11-7-6-9-3-2-8-15-13(9)11/h2-3,8,10-12H,1,4-7H2
InChIKeyLWHQAOXTGVXTME-UHFFFAOYSA-N
MW266.18 g/mol
LogP3.67
Rot. Bonds1

About 7-(2-bromocyclopentyl)-6,7-dihydro-5H-cyclopenta[b]pyridine

7-(2-bromocyclopentyl)-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 79748412) has the molecular formula C13H16BrN and a molecular weight of 266.18 g/mol. Its IUPAC name is 7-(2-bromocyclopentyl)-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name7-(2-bromocyclopentyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID79748412
Molecular FormulaC13H16BrN
Molecular Weight266.18 g/mol
Exact Mass265.05
IUPAC Name7-(2-bromocyclopentyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESBrC1CCCC1C1CCc2cccnc21
InChIInChI=1S/C13H16BrN/c14-12-5-1-4-10(12)11-7-6-9-3-2-8-15-13(9)11/h2-3,8,10-12H,1,4-7H2
InChIKeyLWHQAOXTGVXTME-UHFFFAOYSA-N
XLogP3.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cyclopentane-1-carboxylic acid
CID 81008553
6-bicyclo[3.1.0]hexanyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol
CID 115819421
7-(3-chlorocycloheptyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 79738397
2-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexane-1-carboxylic acid
CID 81008870
3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cycloheptan-1-one
CID 79738183
2-methyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopentan-1-one
CID 79739041
3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylcycloheptan-1-amine
CID 79738960
(8S)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 164583093
(8R)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 162400504
4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)oxolan-3-one
CID 164650840
(8S)-5,6,7,8-tetrahydroquinolin-8-ol
CID 11480532
(8S)-5,6,7,8-tetrahydroquinolin-8-amine
CID 12031071

Frequently Asked Questions

What is the IUPAC name of 7-(2-bromocyclopentyl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of 7-(2-bromocyclopentyl)-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 79748412) is 7-(2-bromocyclopentyl)-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for 7-(2-bromocyclopentyl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for 7-(2-bromocyclopentyl)-6,7-dihydro-5H-cyclopenta[b]pyridine is BrC1CCCC1C1CCc2cccnc21.
What is the InChIKey of 7-(2-bromocyclopentyl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is LWHQAOXTGVXTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN/c14-12-5-1-4-10(12)11-7-6-9-3-2-8-15-13(9)11/h2-3,8,10-12H,1,4-7H2.
What are the key properties of 7-(2-bromocyclopentyl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
7-(2-bromocyclopentyl)-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 266.18 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-bromocyclopentyl)-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 79748412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).