7-(4-chlorobut-1-ynyl)-6,7-dihydro-5H-cyclopenta[b]pyridine

C12H12ClN — CID 79739326

IUPAC7-(4-chlorobut-1-ynyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESClCCC#CC1CCc2cccnc21
InChIInChI=1S/C12H12ClN/c13-8-2-1-4-10-6-7-11-5-3-9-14-12(10)11/h3,5,9-10H,2,6-8H2
InChIKeyMYSWCLPLZXNSCM-UHFFFAOYSA-N
MW205.69 g/mol
LogP2.74
Rot. Bonds1

About 7-(4-chlorobut-1-ynyl)-6,7-dihydro-5H-cyclopenta[b]pyridine

7-(4-chlorobut-1-ynyl)-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 79739326) has the molecular formula C12H12ClN and a molecular weight of 205.69 g/mol. Its IUPAC name is 7-(4-chlorobut-1-ynyl)-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name7-(4-chlorobut-1-ynyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID79739326
Molecular FormulaC12H12ClN
Molecular Weight205.69 g/mol
Exact Mass205.07
IUPAC Name7-(4-chlorobut-1-ynyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESClCCC#CC1CCc2cccnc21
InChIInChI=1S/C12H12ClN/c13-8-2-1-4-10-6-7-11-5-3-9-14-12(10)11/h3,5,9-10H,2,6-8H2
InChIKeyMYSWCLPLZXNSCM-UHFFFAOYSA-N
XLogP2.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.69
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)but-3-yn-1-amine
CID 116641422
N-but-3-ynyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773823
7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;propane
CID 144513567
4-chloro-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 79745424
7-prop-2-enyl-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 115410429
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 79748066
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)acetic acid
CID 79740284
N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079711
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-3-methylbutan-1-amine
CID 79748029
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)butan-1-amine
CID 79748418
(8S)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 164583093
(8R)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 162400504

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorobut-1-ynyl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of 7-(4-chlorobut-1-ynyl)-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 79739326) is 7-(4-chlorobut-1-ynyl)-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for 7-(4-chlorobut-1-ynyl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for 7-(4-chlorobut-1-ynyl)-6,7-dihydro-5H-cyclopenta[b]pyridine is ClCCC#CC1CCc2cccnc21.
What is the InChIKey of 7-(4-chlorobut-1-ynyl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is MYSWCLPLZXNSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN/c13-8-2-1-4-10-6-7-11-5-3-9-14-12(10)11/h3,5,9-10H,2,6-8H2.
What are the key properties of 7-(4-chlorobut-1-ynyl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
7-(4-chlorobut-1-ynyl)-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 205.69 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorobut-1-ynyl)-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 79739326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).