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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Related Compounds

4-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)benzonitrile
CID 86777838
4-acetyl-3-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)benzonitrile
CID 133458483
4-[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]quinoline-2-carbonitrile
CID 97218063
3-ethoxy-7-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-7-azaspiro[3.5]nonan-1-ol
CID 71929931
3-chloro-6-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile
CID 133323340
(1S,3R)-3-ethoxy-7-(6-propan-2-yloxypyrazin-2-yl)-7-azaspiro[3.5]nonan-1-ol
CID 99610576
(1S,3S)-3-ethoxy-7-(6-propan-2-yloxypyrazin-2-yl)-7-azaspiro[3.5]nonan-1-ol
CID 99610577
(1S,3S)-7-[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 100671858
(1R,3S)-3-ethoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol
CID 124736554
(1S,3S)-3-ethoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol
CID 124736555
7-[(4-chlorophenyl)methyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 111457307
7-benzyl-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 111457282

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).