2,4-dichloro-5-[(2R,4R,5R)-5-ethyl-4-methyloxolan-2-yl]-5H-cyclopenta[b]pyridine

C15H17Cl2NO — CID 88858314

IUPAC2,4-dichloro-5-[(2R,4R,5R)-5-ethyl-4-methyloxolan-2-yl]-5H-cyclopenta[b]pyridine
SMILESCC[C@H]1O[C@@H](C2C=Cc3nc(Cl)cc(Cl)c32)C[C@H]1C
InChIInChI=1S/C15H17Cl2NO/c1-3-12-8(2)6-13(19-12)9-4-5-11-15(9)10(16)7-14(17)18-11/h4-5,7-9,12-13H,3,6H2,1-2H3/t8-,9?,12-,13-/m1/s1
InChIKeyYKNVOOQFMKZXSK-HVMURFQRSA-N
MW298.21 g/mol
LogP4.70
Rot. Bonds2

About 2,4-dichloro-5-[(2R,4R,5R)-5-ethyl-4-methyloxolan-2-yl]-5H-cyclopenta[b]pyridine

2,4-dichloro-5-[(2R,4R,5R)-5-ethyl-4-methyloxolan-2-yl]-5H-cyclopenta[b]pyridine (PubChem CID 88858314) has the molecular formula C15H17Cl2NO and a molecular weight of 298.21 g/mol. Its IUPAC name is 2,4-dichloro-5-[(2R,4R,5R)-5-ethyl-4-methyloxolan-2-yl]-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name2,4-dichloro-5-[(2R,4R,5R)-5-ethyl-4-methyloxolan-2-yl]-5H-cyclopenta[b]pyridine
PubChem CID88858314
Molecular FormulaC15H17Cl2NO
Molecular Weight298.21 g/mol
Exact Mass297.07
IUPAC Name2,4-dichloro-5-[(2R,4R,5R)-5-ethyl-4-methyloxolan-2-yl]-5H-cyclopenta[b]pyridine
SMILESCC[C@H]1O[C@@H](C2C=Cc3nc(Cl)cc(Cl)c32)C[C@H]1C
InChIInChI=1S/C15H17Cl2NO/c1-3-12-8(2)6-13(19-12)9-4-5-11-15(9)10(16)7-14(17)18-11/h4-5,7-9,12-13H,3,6H2,1-2H3/t8-,9?,12-,13-/m1/s1
InChIKeyYKNVOOQFMKZXSK-HVMURFQRSA-N
XLogP4.70
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 54.70
H-Bond Donors ≤ 50
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 2,4-dichloro-5-[(2R,4R,5R)-5-ethyl-4-methyloxolan-2-yl]-5H-cyclopenta[b]pyridine?
The IUPAC name of 2,4-dichloro-5-[(2R,4R,5R)-5-ethyl-4-methyloxolan-2-yl]-5H-cyclopenta[b]pyridine (CID 88858314) is 2,4-dichloro-5-[(2R,4R,5R)-5-ethyl-4-methyloxolan-2-yl]-5H-cyclopenta[b]pyridine.
What is the SMILES notation for 2,4-dichloro-5-[(2R,4R,5R)-5-ethyl-4-methyloxolan-2-yl]-5H-cyclopenta[b]pyridine?
The canonical SMILES for 2,4-dichloro-5-[(2R,4R,5R)-5-ethyl-4-methyloxolan-2-yl]-5H-cyclopenta[b]pyridine is CC[C@H]1O[C@@H](C2C=Cc3nc(Cl)cc(Cl)c32)C[C@H]1C.
What is the InChIKey of 2,4-dichloro-5-[(2R,4R,5R)-5-ethyl-4-methyloxolan-2-yl]-5H-cyclopenta[b]pyridine?
The InChIKey is YKNVOOQFMKZXSK-HVMURFQRSA-N. The full InChI is InChI=1S/C15H17Cl2NO/c1-3-12-8(2)6-13(19-12)9-4-5-11-15(9)10(16)7-14(17)18-11/h4-5,7-9,12-13H,3,6H2,1-2H3/t8-,9?,12-,13-/m1/s1.
What are the key properties of 2,4-dichloro-5-[(2R,4R,5R)-5-ethyl-4-methyloxolan-2-yl]-5H-cyclopenta[b]pyridine?
2,4-dichloro-5-[(2R,4R,5R)-5-ethyl-4-methyloxolan-2-yl]-5H-cyclopenta[b]pyridine has a molecular weight of 298.21 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[(2R,4R,5R)-5-ethyl-4-methyloxolan-2-yl]-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 88858314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).