2-[2-(2-hydroxyethyl)phenoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C17H16N2O2 — CID 107712416

IUPAC2-[2-(2-hydroxyethyl)phenoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1Oc1ccccc1CCO)CCC2
InChIInChI=1S/C17H16N2O2/c18-11-14-10-13-5-3-6-15(13)19-17(14)21-16-7-2-1-4-12(16)8-9-20/h1-2,4,7,10,20H,3,5-6,8-9H2
InChIKeyZAAXRARCPXJIQL-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.77
Rot. Bonds4

About 2-[2-(2-hydroxyethyl)phenoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-[2-(2-hydroxyethyl)phenoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 107712416) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethyl)phenoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(2-hydroxyethyl)phenoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID107712416
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-[2-(2-hydroxyethyl)phenoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1Oc1ccccc1CCO)CCC2
InChIInChI=1S/C17H16N2O2/c18-11-14-10-13-5-3-6-15(13)19-17(14)21-16-7-2-1-4-12(16)8-9-20/h1-2,4,7,10,20H,3,5-6,8-9H2
InChIKeyZAAXRARCPXJIQL-UHFFFAOYSA-N
XLogP2.77
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethyl)phenoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-[2-(2-hydroxyethyl)phenoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 107712416) is 2-[2-(2-hydroxyethyl)phenoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(2-hydroxyethyl)phenoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(2-hydroxyethyl)phenoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is N#Cc1cc2c(nc1Oc1ccccc1CCO)CCC2.
What is the InChIKey of 2-[2-(2-hydroxyethyl)phenoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is ZAAXRARCPXJIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c18-11-14-10-13-5-3-6-15(13)19-17(14)21-16-7-2-1-4-12(16)8-9-20/h1-2,4,7,10,20H,3,5-6,8-9H2.
What are the key properties of 2-[2-(2-hydroxyethyl)phenoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-[2-(2-hydroxyethyl)phenoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 280.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethyl)phenoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 107712416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).