1-[(7S)-3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]azetidin-3-ol

C12H15ClN2O2 — CID 167338386

IUPAC1-[(7S)-3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]azetidin-3-ol
SMILESCOc1nc(Cl)cc2c1[C@@H](N1CC(O)C1)CC2
InChIInChI=1S/C12H15ClN2O2/c1-17-12-11-7(4-10(13)14-12)2-3-9(11)15-5-8(16)6-15/h4,8-9,16H,2-3,5-6H2,1H3/t9-/m0/s1
InChIKeyGTNIAJSRISGKTP-VIFPVBQESA-N
MW254.72 g/mol
LogP1.41
Rot. Bonds2

About 1-[(7S)-3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]azetidin-3-ol

1-[(7S)-3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]azetidin-3-ol (PubChem CID 167338386) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 1-[(7S)-3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]azetidin-3-ol.

Molecular Properties

Compound Name1-[(7S)-3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]azetidin-3-ol
PubChem CID167338386
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name1-[(7S)-3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]azetidin-3-ol
SMILESCOc1nc(Cl)cc2c1[C@@H](N1CC(O)C1)CC2
InChIInChI=1S/C12H15ClN2O2/c1-17-12-11-7(4-10(13)14-12)2-3-9(11)15-5-8(16)6-15/h4,8-9,16H,2-3,5-6H2,1H3/t9-/m0/s1
InChIKeyGTNIAJSRISGKTP-VIFPVBQESA-N
XLogP1.41
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-[(7S)-3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]azetidin-3-ol?
The IUPAC name of 1-[(7S)-3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]azetidin-3-ol (CID 167338386) is 1-[(7S)-3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]azetidin-3-ol.
What is the SMILES notation for 1-[(7S)-3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]azetidin-3-ol?
The canonical SMILES for 1-[(7S)-3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]azetidin-3-ol is COc1nc(Cl)cc2c1[C@@H](N1CC(O)C1)CC2.
What is the InChIKey of 1-[(7S)-3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]azetidin-3-ol?
The InChIKey is GTNIAJSRISGKTP-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-17-12-11-7(4-10(13)14-12)2-3-9(11)15-5-8(16)6-15/h4,8-9,16H,2-3,5-6H2,1H3/t9-/m0/s1.
What are the key properties of 1-[(7S)-3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]azetidin-3-ol?
1-[(7S)-3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]azetidin-3-ol has a molecular weight of 254.72 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7S)-3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]azetidin-3-ol is sourced from PubChem (CID 167338386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).