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

C15H10ClFN2O — CID 82716485

IUPAC2-(4-chloro-3-fluorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1Oc1ccc(Cl)c(F)c1)CCC2
InChIInChI=1S/C15H10ClFN2O/c16-12-5-4-11(7-13(12)17)20-15-10(8-18)6-9-2-1-3-14(9)19-15/h4-7H,1-3H2
InChIKeyVLUFRYFZJROFFX-UHFFFAOYSA-N
MW288.71 g/mol
LogP4.03
Rot. Bonds2

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

2-(4-chloro-3-fluorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 82716485) has the molecular formula C15H10ClFN2O and a molecular weight of 288.71 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID82716485
Molecular FormulaC15H10ClFN2O
Molecular Weight288.71 g/mol
Exact Mass288.05
IUPAC Name2-(4-chloro-3-fluorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1Oc1ccc(Cl)c(F)c1)CCC2
InChIInChI=1S/C15H10ClFN2O/c16-12-5-4-11(7-13(12)17)20-15-10(8-18)6-9-2-1-3-14(9)19-15/h4-7H,1-3H2
InChIKeyVLUFRYFZJROFFX-UHFFFAOYSA-N
XLogP4.03
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 82716485) is 2-(4-chloro-3-fluorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is N#Cc1cc2c(nc1Oc1ccc(Cl)c(F)c1)CCC2.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is VLUFRYFZJROFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O/c16-12-5-4-11(7-13(12)17)20-15-10(8-18)6-9-2-1-3-14(9)19-15/h4-7H,1-3H2.
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-(4-chloro-3-fluorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 288.71 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 82716485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).