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

C15H13N3O2 — CID 114764610

IUPAC2-(2-amino-3-hydroxyphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1Oc1cccc(O)c1N)CCC2
InChIInChI=1S/C15H13N3O2/c16-8-10-7-9-3-1-4-11(9)18-15(10)20-13-6-2-5-12(19)14(13)17/h2,5-7,19H,1,3-4,17H2
InChIKeyNFAZOVRHORFMGS-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.52
Rot. Bonds2

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

2-(2-amino-3-hydroxyphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 114764610) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(2-amino-3-hydroxyphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-amino-3-hydroxyphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID114764610
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-(2-amino-3-hydroxyphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1Oc1cccc(O)c1N)CCC2
InChIInChI=1S/C15H13N3O2/c16-8-10-7-9-3-1-4-11(9)18-15(10)20-13-6-2-5-12(19)14(13)17/h2,5-7,19H,1,3-4,17H2
InChIKeyNFAZOVRHORFMGS-UHFFFAOYSA-N
XLogP2.52
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-hydroxyphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-(2-amino-3-hydroxyphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 114764610) is 2-(2-amino-3-hydroxyphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-amino-3-hydroxyphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-(2-amino-3-hydroxyphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is N#Cc1cc2c(nc1Oc1cccc(O)c1N)CCC2.
What is the InChIKey of 2-(2-amino-3-hydroxyphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is NFAZOVRHORFMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c16-8-10-7-9-3-1-4-11(9)18-15(10)20-13-6-2-5-12(19)14(13)17/h2,5-7,19H,1,3-4,17H2.
What are the key properties of 2-(2-amino-3-hydroxyphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-(2-amino-3-hydroxyphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 267.29 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-hydroxyphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 114764610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).