1-(3-chloro-7-hydroxy-5H-cyclopenta[c]pyridin-6-yl)-2,2,3,3,3-pentafluoropropan-1-one

C11H5ClF5NO2 — CID 162436057

IUPAC1-(3-chloro-7-hydroxy-5H-cyclopenta[c]pyridin-6-yl)-2,2,3,3,3-pentafluoropropan-1-one
SMILESO=C(C1=C(O)c2cnc(Cl)cc2C1)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H5ClF5NO2/c12-7-2-4-1-5(8(19)6(4)3-18-7)9(20)10(13,14)11(15,16)17/h2-3,19H,1H2
InChIKeyPNXRUZCFNYAHEW-UHFFFAOYSA-N
MW313.61 g/mol
LogP3.33
Rot. Bonds2

About 1-(3-chloro-7-hydroxy-5H-cyclopenta[c]pyridin-6-yl)-2,2,3,3,3-pentafluoropropan-1-one

1-(3-chloro-7-hydroxy-5H-cyclopenta[c]pyridin-6-yl)-2,2,3,3,3-pentafluoropropan-1-one (PubChem CID 162436057) has the molecular formula C11H5ClF5NO2 and a molecular weight of 313.61 g/mol. Its IUPAC name is 1-(3-chloro-7-hydroxy-5H-cyclopenta[c]pyridin-6-yl)-2,2,3,3,3-pentafluoropropan-1-one.

Molecular Properties

Compound Name1-(3-chloro-7-hydroxy-5H-cyclopenta[c]pyridin-6-yl)-2,2,3,3,3-pentafluoropropan-1-one
PubChem CID162436057
Molecular FormulaC11H5ClF5NO2
Molecular Weight313.61 g/mol
Exact Mass312.99
IUPAC Name1-(3-chloro-7-hydroxy-5H-cyclopenta[c]pyridin-6-yl)-2,2,3,3,3-pentafluoropropan-1-one
SMILESO=C(C1=C(O)c2cnc(Cl)cc2C1)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H5ClF5NO2/c12-7-2-4-1-5(8(19)6(4)3-18-7)9(20)10(13,14)11(15,16)17/h2-3,19H,1H2
InChIKeyPNXRUZCFNYAHEW-UHFFFAOYSA-N
XLogP3.33
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.61
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-7-hydroxy-5H-cyclopenta[c]pyridin-6-yl)-2,2,3,3,3-pentafluoropropan-1-one?
The IUPAC name of 1-(3-chloro-7-hydroxy-5H-cyclopenta[c]pyridin-6-yl)-2,2,3,3,3-pentafluoropropan-1-one (CID 162436057) is 1-(3-chloro-7-hydroxy-5H-cyclopenta[c]pyridin-6-yl)-2,2,3,3,3-pentafluoropropan-1-one.
What is the SMILES notation for 1-(3-chloro-7-hydroxy-5H-cyclopenta[c]pyridin-6-yl)-2,2,3,3,3-pentafluoropropan-1-one?
The canonical SMILES for 1-(3-chloro-7-hydroxy-5H-cyclopenta[c]pyridin-6-yl)-2,2,3,3,3-pentafluoropropan-1-one is O=C(C1=C(O)c2cnc(Cl)cc2C1)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(3-chloro-7-hydroxy-5H-cyclopenta[c]pyridin-6-yl)-2,2,3,3,3-pentafluoropropan-1-one?
The InChIKey is PNXRUZCFNYAHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF5NO2/c12-7-2-4-1-5(8(19)6(4)3-18-7)9(20)10(13,14)11(15,16)17/h2-3,19H,1H2.
What are the key properties of 1-(3-chloro-7-hydroxy-5H-cyclopenta[c]pyridin-6-yl)-2,2,3,3,3-pentafluoropropan-1-one?
1-(3-chloro-7-hydroxy-5H-cyclopenta[c]pyridin-6-yl)-2,2,3,3,3-pentafluoropropan-1-one has a molecular weight of 313.61 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-7-hydroxy-5H-cyclopenta[c]pyridin-6-yl)-2,2,3,3,3-pentafluoropropan-1-one is sourced from PubChem (CID 162436057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).