7-(3-chlorocycloheptyl)-6,7-dihydro-5H-cyclopenta[b]pyridine

C15H20ClN — CID 79738397

IUPAC7-(3-chlorocycloheptyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESClC1CCCCC(C2CCc3cccnc32)C1
InChIInChI=1S/C15H20ClN/c16-13-6-2-1-4-12(10-13)14-8-7-11-5-3-9-17-15(11)14/h3,5,9,12-14H,1-2,4,6-8,10H2
InChIKeyXDGFTKZSYHWLNF-UHFFFAOYSA-N
MW249.78 g/mol
LogP4.30
Rot. Bonds1

About 7-(3-chlorocycloheptyl)-6,7-dihydro-5H-cyclopenta[b]pyridine

7-(3-chlorocycloheptyl)-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 79738397) has the molecular formula C15H20ClN and a molecular weight of 249.78 g/mol. Its IUPAC name is 7-(3-chlorocycloheptyl)-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name7-(3-chlorocycloheptyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID79738397
Molecular FormulaC15H20ClN
Molecular Weight249.78 g/mol
Exact Mass249.13
IUPAC Name7-(3-chlorocycloheptyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESClC1CCCCC(C2CCc3cccnc32)C1
InChIInChI=1S/C15H20ClN/c16-13-6-2-1-4-12(10-13)14-8-7-11-5-3-9-17-15(11)14/h3,5,9,12-14H,1-2,4,6-8,10H2
InChIKeyXDGFTKZSYHWLNF-UHFFFAOYSA-N
XLogP4.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.78
LogP ≤ 54.30
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

3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylcycloheptan-1-amine
CID 79738960
3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cycloheptan-1-one
CID 79738183
3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylcyclopentan-1-amine
CID 79738593
7-(2-bromocyclopentyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 79748412
N-propyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-amine
CID 79737789
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cyclopentane-1-carboxylic acid
CID 81008553
2-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexane-1-carboxylic acid
CID 81008870
(8S)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 164583093
(8R)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 162400504
7-(3-chlorocyclohexen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 79738012
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

Frequently Asked Questions

What is the IUPAC name of 7-(3-chlorocycloheptyl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of 7-(3-chlorocycloheptyl)-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 79738397) is 7-(3-chlorocycloheptyl)-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for 7-(3-chlorocycloheptyl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for 7-(3-chlorocycloheptyl)-6,7-dihydro-5H-cyclopenta[b]pyridine is ClC1CCCCC(C2CCc3cccnc32)C1.
What is the InChIKey of 7-(3-chlorocycloheptyl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is XDGFTKZSYHWLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN/c16-13-6-2-1-4-12(10-13)14-8-7-11-5-3-9-17-15(11)14/h3,5,9,12-14H,1-2,4,6-8,10H2.
What are the key properties of 7-(3-chlorocycloheptyl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
7-(3-chlorocycloheptyl)-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 249.78 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chlorocycloheptyl)-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 79738397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).