2-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyridine-3-carbonitrile

C14H16N2O3 — CID 119106412

IUPAC2-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1OC1CCC2(CC1)OCCO2
InChIInChI=1S/C14H16N2O3/c15-10-11-2-1-7-16-13(11)19-12-3-5-14(6-4-12)17-8-9-18-14/h1-2,7,12H,3-6,8-9H2
InChIKeyGOYLLAQELJJTMZ-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.02
Rot. Bonds2

About 2-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyridine-3-carbonitrile

2-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyridine-3-carbonitrile (PubChem CID 119106412) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyridine-3-carbonitrile
PubChem CID119106412
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1OC1CCC2(CC1)OCCO2
InChIInChI=1S/C14H16N2O3/c15-10-11-2-1-7-16-13(11)19-12-3-5-14(6-4-12)17-8-9-18-14/h1-2,7,12H,3-6,8-9H2
InChIKeyGOYLLAQELJJTMZ-UHFFFAOYSA-N
XLogP2.02
TPSA64.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyridine-3-carbonitrile?
The IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyridine-3-carbonitrile (CID 119106412) is 2-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyridine-3-carbonitrile?
The canonical SMILES for 2-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyridine-3-carbonitrile is N#Cc1cccnc1OC1CCC2(CC1)OCCO2.
What is the InChIKey of 2-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyridine-3-carbonitrile?
The InChIKey is GOYLLAQELJJTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c15-10-11-2-1-7-16-13(11)19-12-3-5-14(6-4-12)17-8-9-18-14/h1-2,7,12H,3-6,8-9H2.
What are the key properties of 2-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyridine-3-carbonitrile?
2-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyridine-3-carbonitrile has a molecular weight of 260.29 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyridine-3-carbonitrile is sourced from PubChem (CID 119106412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).