4-chloro-6-(1-methylpyrrolidin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine

C13H17ClN2 — CID 15521504

IUPAC4-chloro-6-(1-methylpyrrolidin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESCN1CCCC1C1Cc2nccc(Cl)c2C1
InChIInChI=1S/C13H17ClN2/c1-16-6-2-3-13(16)9-7-10-11(14)4-5-15-12(10)8-9/h4-5,9,13H,2-3,6-8H2,1H3
InChIKeyLQLHYKLKEOTGDV-UHFFFAOYSA-N
MW236.75 g/mol
LogP2.54
Rot. Bonds1

About 4-chloro-6-(1-methylpyrrolidin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine

4-chloro-6-(1-methylpyrrolidin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 15521504) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 4-chloro-6-(1-methylpyrrolidin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name4-chloro-6-(1-methylpyrrolidin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID15521504
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name4-chloro-6-(1-methylpyrrolidin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESCN1CCCC1C1Cc2nccc(Cl)c2C1
InChIInChI=1S/C13H17ClN2/c1-16-6-2-3-13(16)9-7-10-11(14)4-5-15-12(10)8-9/h4-5,9,13H,2-3,6-8H2,1H3
InChIKeyLQLHYKLKEOTGDV-UHFFFAOYSA-N
XLogP2.54
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1-methylpyrrolidin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of 4-chloro-6-(1-methylpyrrolidin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 15521504) is 4-chloro-6-(1-methylpyrrolidin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for 4-chloro-6-(1-methylpyrrolidin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for 4-chloro-6-(1-methylpyrrolidin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine is CN1CCCC1C1Cc2nccc(Cl)c2C1.
What is the InChIKey of 4-chloro-6-(1-methylpyrrolidin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is LQLHYKLKEOTGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-16-6-2-3-13(16)9-7-10-11(14)4-5-15-12(10)8-9/h4-5,9,13H,2-3,6-8H2,1H3.
What are the key properties of 4-chloro-6-(1-methylpyrrolidin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
4-chloro-6-(1-methylpyrrolidin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 236.75 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1-methylpyrrolidin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 15521504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).