[(7S)-2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]methanol

C9H10ClNO — CID 102140405

IUPAC[(7S)-2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]methanol
SMILESOC[C@H]1CCc2ccc(Cl)nc21
InChIInChI=1S/C9H10ClNO/c10-8-4-3-6-1-2-7(5-12)9(6)11-8/h3-4,7,12H,1-2,5H2/t7-/m1/s1
InChIKeyPNGARBZHLZASCT-SSDOTTSWSA-N
MW183.64 g/mol
LogP1.76
Rot. Bonds1

About [(7S)-2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]methanol

[(7S)-2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]methanol (PubChem CID 102140405) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is [(7S)-2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[(7S)-2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]methanol
PubChem CID102140405
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name[(7S)-2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]methanol
SMILESOC[C@H]1CCc2ccc(Cl)nc21
InChIInChI=1S/C9H10ClNO/c10-8-4-3-6-1-2-7(5-12)9(6)11-8/h3-4,7,12H,1-2,5H2/t7-/m1/s1
InChIKeyPNGARBZHLZASCT-SSDOTTSWSA-N
XLogP1.76
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(7S)-2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]methanol?
The IUPAC name of [(7S)-2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]methanol (CID 102140405) is [(7S)-2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]methanol.
What is the SMILES notation for [(7S)-2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]methanol?
The canonical SMILES for [(7S)-2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]methanol is OC[C@H]1CCc2ccc(Cl)nc21.
What is the InChIKey of [(7S)-2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]methanol?
The InChIKey is PNGARBZHLZASCT-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H10ClNO/c10-8-4-3-6-1-2-7(5-12)9(6)11-8/h3-4,7,12H,1-2,5H2/t7-/m1/s1.
What are the key properties of [(7S)-2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]methanol?
[(7S)-2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]methanol has a molecular weight of 183.64 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(7S)-2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]methanol is sourced from PubChem (CID 102140405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).