(5S)-5-ethyl-1-fluoro-6,7-dihydrocyclopenta[c]pyridin-5-ol

C10H12FNO — CID 141014401

IUPAC(5S)-5-ethyl-1-fluoro-6,7-dihydrocyclopenta[c]pyridin-5-ol
SMILESCC[C@]1(O)CCc2c1ccnc2F
InChIInChI=1S/C10H12FNO/c1-2-10(13)5-3-7-8(10)4-6-12-9(7)11/h4,6,13H,2-3,5H2,1H3/t10-/m0/s1
InChIKeyQLDZCIFONWLCRK-JTQLQIEISA-N
MW181.21 g/mol
LogP1.76
Rot. Bonds1

About (5S)-5-ethyl-1-fluoro-6,7-dihydrocyclopenta[c]pyridin-5-ol

(5S)-5-ethyl-1-fluoro-6,7-dihydrocyclopenta[c]pyridin-5-ol (PubChem CID 141014401) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is (5S)-5-ethyl-1-fluoro-6,7-dihydrocyclopenta[c]pyridin-5-ol.

Molecular Properties

Compound Name(5S)-5-ethyl-1-fluoro-6,7-dihydrocyclopenta[c]pyridin-5-ol
PubChem CID141014401
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name(5S)-5-ethyl-1-fluoro-6,7-dihydrocyclopenta[c]pyridin-5-ol
SMILESCC[C@]1(O)CCc2c1ccnc2F
InChIInChI=1S/C10H12FNO/c1-2-10(13)5-3-7-8(10)4-6-12-9(7)11/h4,6,13H,2-3,5H2,1H3/t10-/m0/s1
InChIKeyQLDZCIFONWLCRK-JTQLQIEISA-N
XLogP1.76
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
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 (5S)-5-ethyl-1-fluoro-6,7-dihydrocyclopenta[c]pyridin-5-ol?
The IUPAC name of (5S)-5-ethyl-1-fluoro-6,7-dihydrocyclopenta[c]pyridin-5-ol (CID 141014401) is (5S)-5-ethyl-1-fluoro-6,7-dihydrocyclopenta[c]pyridin-5-ol.
What is the SMILES notation for (5S)-5-ethyl-1-fluoro-6,7-dihydrocyclopenta[c]pyridin-5-ol?
The canonical SMILES for (5S)-5-ethyl-1-fluoro-6,7-dihydrocyclopenta[c]pyridin-5-ol is CC[C@]1(O)CCc2c1ccnc2F.
What is the InChIKey of (5S)-5-ethyl-1-fluoro-6,7-dihydrocyclopenta[c]pyridin-5-ol?
The InChIKey is QLDZCIFONWLCRK-JTQLQIEISA-N. The full InChI is InChI=1S/C10H12FNO/c1-2-10(13)5-3-7-8(10)4-6-12-9(7)11/h4,6,13H,2-3,5H2,1H3/t10-/m0/s1.
What are the key properties of (5S)-5-ethyl-1-fluoro-6,7-dihydrocyclopenta[c]pyridin-5-ol?
(5S)-5-ethyl-1-fluoro-6,7-dihydrocyclopenta[c]pyridin-5-ol has a molecular weight of 181.21 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 (5S)-5-ethyl-1-fluoro-6,7-dihydrocyclopenta[c]pyridin-5-ol is sourced from PubChem (CID 141014401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).