5-(8-azaspiro[4.5]decan-8-yl)-2-(2,3-dichlorophenyl)pyridin-3-ol

C20H22Cl2N2O — CID 135255029

IUPAC5-(8-azaspiro[4.5]decan-8-yl)-2-(2,3-dichlorophenyl)pyridin-3-ol
SMILESOc1cc(N2CCC3(CCCC3)CC2)cnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C20H22Cl2N2O/c21-16-5-3-4-15(18(16)22)19-17(25)12-14(13-23-19)24-10-8-20(9-11-24)6-1-2-7-20/h3-5,12-13,25H,1-2,6-11H2
InChIKeyXVWJMMKRPOHBAH-UHFFFAOYSA-N
MW377.32 g/mol
LogP5.92
Rot. Bonds2

About 5-(8-azaspiro[4.5]decan-8-yl)-2-(2,3-dichlorophenyl)pyridin-3-ol

5-(8-azaspiro[4.5]decan-8-yl)-2-(2,3-dichlorophenyl)pyridin-3-ol (PubChem CID 135255029) has the molecular formula C20H22Cl2N2O and a molecular weight of 377.32 g/mol. Its IUPAC name is 5-(8-azaspiro[4.5]decan-8-yl)-2-(2,3-dichlorophenyl)pyridin-3-ol.

Molecular Properties

Compound Name5-(8-azaspiro[4.5]decan-8-yl)-2-(2,3-dichlorophenyl)pyridin-3-ol
PubChem CID135255029
Molecular FormulaC20H22Cl2N2O
Molecular Weight377.32 g/mol
Exact Mass376.11
IUPAC Name5-(8-azaspiro[4.5]decan-8-yl)-2-(2,3-dichlorophenyl)pyridin-3-ol
SMILESOc1cc(N2CCC3(CCCC3)CC2)cnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C20H22Cl2N2O/c21-16-5-3-4-15(18(16)22)19-17(25)12-14(13-23-19)24-10-8-20(9-11-24)6-1-2-7-20/h3-5,12-13,25H,1-2,6-11H2
InChIKeyXVWJMMKRPOHBAH-UHFFFAOYSA-N
XLogP5.92
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.32
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(8-azaspiro[4.5]decan-8-yl)-2-(2,3-dichlorophenyl)pyridin-3-ol?
The IUPAC name of 5-(8-azaspiro[4.5]decan-8-yl)-2-(2,3-dichlorophenyl)pyridin-3-ol (CID 135255029) is 5-(8-azaspiro[4.5]decan-8-yl)-2-(2,3-dichlorophenyl)pyridin-3-ol.
What is the SMILES notation for 5-(8-azaspiro[4.5]decan-8-yl)-2-(2,3-dichlorophenyl)pyridin-3-ol?
The canonical SMILES for 5-(8-azaspiro[4.5]decan-8-yl)-2-(2,3-dichlorophenyl)pyridin-3-ol is Oc1cc(N2CCC3(CCCC3)CC2)cnc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 5-(8-azaspiro[4.5]decan-8-yl)-2-(2,3-dichlorophenyl)pyridin-3-ol?
The InChIKey is XVWJMMKRPOHBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O/c21-16-5-3-4-15(18(16)22)19-17(25)12-14(13-23-19)24-10-8-20(9-11-24)6-1-2-7-20/h3-5,12-13,25H,1-2,6-11H2.
What are the key properties of 5-(8-azaspiro[4.5]decan-8-yl)-2-(2,3-dichlorophenyl)pyridin-3-ol?
5-(8-azaspiro[4.5]decan-8-yl)-2-(2,3-dichlorophenyl)pyridin-3-ol has a molecular weight of 377.32 g/mol, XLogP of 5.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-azaspiro[4.5]decan-8-yl)-2-(2,3-dichlorophenyl)pyridin-3-ol is sourced from PubChem (CID 135255029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).