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

C17H15ClN2O — CID 63514485

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCc1cc(Oc2nc3c(cc2C#N)CCC3)cc(C)c1Cl
InChIInChI=1S/C17H15ClN2O/c1-10-6-14(7-11(2)16(10)18)21-17-13(9-19)8-12-4-3-5-15(12)20-17/h6-8H,3-5H2,1-2H3
InChIKeyVOKFDTYGSXFCNH-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.50
Rot. Bonds2

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

2-(4-chloro-3,5-dimethylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 63514485) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID63514485
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCc1cc(Oc2nc3c(cc2C#N)CCC3)cc(C)c1Cl
InChIInChI=1S/C17H15ClN2O/c1-10-6-14(7-11(2)16(10)18)21-17-13(9-19)8-12-4-3-5-15(12)20-17/h6-8H,3-5H2,1-2H3
InChIKeyVOKFDTYGSXFCNH-UHFFFAOYSA-N
XLogP4.50
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 63514485) is 2-(4-chloro-3,5-dimethylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is Cc1cc(Oc2nc3c(cc2C#N)CCC3)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is VOKFDTYGSXFCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-10-6-14(7-11(2)16(10)18)21-17-13(9-19)8-12-4-3-5-15(12)20-17/h6-8H,3-5H2,1-2H3.
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-(4-chloro-3,5-dimethylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 298.77 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 63514485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).