3-chloro-6-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pyridine-2-carbonitrile

C16H20ClN3O2 — CID 75373310

IUPAC3-chloro-6-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pyridine-2-carbonitrile
SMILESCCOC1CC(O)C12CCN(c1ccc(Cl)c(C#N)n1)CC2
InChIInChI=1S/C16H20ClN3O2/c1-2-22-14-9-13(21)16(14)5-7-20(8-6-16)15-4-3-11(17)12(10-18)19-15/h3-4,13-14,21H,2,5-9H2,1H3
InChIKeyZKBGFRMSGLWLBP-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.36
Rot. Bonds3

About 3-chloro-6-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pyridine-2-carbonitrile

3-chloro-6-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pyridine-2-carbonitrile (PubChem CID 75373310) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 3-chloro-6-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-6-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pyridine-2-carbonitrile
PubChem CID75373310
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name3-chloro-6-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pyridine-2-carbonitrile
SMILESCCOC1CC(O)C12CCN(c1ccc(Cl)c(C#N)n1)CC2
InChIInChI=1S/C16H20ClN3O2/c1-2-22-14-9-13(21)16(14)5-7-20(8-6-16)15-4-3-11(17)12(10-18)19-15/h3-4,13-14,21H,2,5-9H2,1H3
InChIKeyZKBGFRMSGLWLBP-UHFFFAOYSA-N
XLogP2.36
TPSA69.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pyridine-2-carbonitrile?
The IUPAC name of 3-chloro-6-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pyridine-2-carbonitrile (CID 75373310) is 3-chloro-6-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-6-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-6-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pyridine-2-carbonitrile is CCOC1CC(O)C12CCN(c1ccc(Cl)c(C#N)n1)CC2.
What is the InChIKey of 3-chloro-6-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pyridine-2-carbonitrile?
The InChIKey is ZKBGFRMSGLWLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-2-22-14-9-13(21)16(14)5-7-20(8-6-16)15-4-3-11(17)12(10-18)19-15/h3-4,13-14,21H,2,5-9H2,1H3.
What are the key properties of 3-chloro-6-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pyridine-2-carbonitrile?
3-chloro-6-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pyridine-2-carbonitrile has a molecular weight of 321.81 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 75373310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).