4-chloro-2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine

C14H10Cl2FN — CID 90112275

IUPAC4-chloro-2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESFc1cc(Cl)cc(-c2cc(Cl)c3c(n2)CCC3)c1
InChIInChI=1S/C14H10Cl2FN/c15-9-4-8(5-10(17)6-9)14-7-12(16)11-2-1-3-13(11)18-14/h4-7H,1-3H2
InChIKeyWFVXJZRITYRXLL-UHFFFAOYSA-N
MW282.15 g/mol
LogP4.68
Rot. Bonds1

About 4-chloro-2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine

4-chloro-2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 90112275) has the molecular formula C14H10Cl2FN and a molecular weight of 282.15 g/mol. Its IUPAC name is 4-chloro-2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name4-chloro-2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID90112275
Molecular FormulaC14H10Cl2FN
Molecular Weight282.15 g/mol
Exact Mass281.02
IUPAC Name4-chloro-2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESFc1cc(Cl)cc(-c2cc(Cl)c3c(n2)CCC3)c1
InChIInChI=1S/C14H10Cl2FN/c15-9-4-8(5-10(17)6-9)14-7-12(16)11-2-1-3-13(11)18-14/h4-7H,1-3H2
InChIKeyWFVXJZRITYRXLL-UHFFFAOYSA-N
XLogP4.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.15
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of 4-chloro-2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 90112275) is 4-chloro-2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for 4-chloro-2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for 4-chloro-2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine is Fc1cc(Cl)cc(-c2cc(Cl)c3c(n2)CCC3)c1.
What is the InChIKey of 4-chloro-2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is WFVXJZRITYRXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FN/c15-9-4-8(5-10(17)6-9)14-7-12(16)11-2-1-3-13(11)18-14/h4-7H,1-3H2.
What are the key properties of 4-chloro-2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
4-chloro-2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 282.15 g/mol, XLogP of 4.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 90112275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).