2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol

C8H8ClNO — CID 42609290

IUPAC2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
SMILESOC1CCc2ccc(Cl)nc21
InChIInChI=1S/C8H8ClNO/c9-7-4-2-5-1-3-6(11)8(5)10-7/h2,4,6,11H,1,3H2
InChIKeyXZVGQEYEEUNMQM-UHFFFAOYSA-N
MW169.61 g/mol
LogP1.71
Rot. Bonds

About 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol

2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol (PubChem CID 42609290) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol.

Molecular Properties

Compound Name2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
PubChem CID42609290
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC Name2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
SMILESOC1CCc2ccc(Cl)nc21
InChIInChI=1S/C8H8ClNO/c9-7-4-2-5-1-3-6(11)8(5)10-7/h2,4,6,11H,1,3H2
InChIKeyXZVGQEYEEUNMQM-UHFFFAOYSA-N
XLogP1.71
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 51.71
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 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol?
The IUPAC name of 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol (CID 42609290) is 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol.
What is the SMILES notation for 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol?
The canonical SMILES for 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol is OC1CCc2ccc(Cl)nc21.
What is the InChIKey of 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol?
The InChIKey is XZVGQEYEEUNMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO/c9-7-4-2-5-1-3-6(11)8(5)10-7/h2,4,6,11H,1,3H2.
What are the key properties of 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol?
2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol has a molecular weight of 169.61 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol is sourced from PubChem (CID 42609290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).