[8-(6-chloro-2-pyridinyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol

C14H18ClNO3 — CID 166020647

IUPAC[8-(6-chloro-2-pyridinyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol
SMILESOCC1(c2cccc(Cl)n2)CCC2(CC1)OCCO2
InChIInChI=1S/C14H18ClNO3/c15-12-3-1-2-11(16-12)13(10-17)4-6-14(7-5-13)18-8-9-19-14/h1-3,17H,4-10H2
InChIKeyRMMHQSAMIOCAFI-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.28
Rot. Bonds2

About [8-(6-chloro-2-pyridinyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol

[8-(6-chloro-2-pyridinyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol (PubChem CID 166020647) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is [8-(6-chloro-2-pyridinyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol.

Molecular Properties

Compound Name[8-(6-chloro-2-pyridinyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol
PubChem CID166020647
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name[8-(6-chloro-2-pyridinyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol
SMILESOCC1(c2cccc(Cl)n2)CCC2(CC1)OCCO2
InChIInChI=1S/C14H18ClNO3/c15-12-3-1-2-11(16-12)13(10-17)4-6-14(7-5-13)18-8-9-19-14/h1-3,17H,4-10H2
InChIKeyRMMHQSAMIOCAFI-UHFFFAOYSA-N
XLogP2.28
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [8-(6-chloro-2-pyridinyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol?
The IUPAC name of [8-(6-chloro-2-pyridinyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol (CID 166020647) is [8-(6-chloro-2-pyridinyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol.
What is the SMILES notation for [8-(6-chloro-2-pyridinyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol?
The canonical SMILES for [8-(6-chloro-2-pyridinyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol is OCC1(c2cccc(Cl)n2)CCC2(CC1)OCCO2.
What is the InChIKey of [8-(6-chloro-2-pyridinyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol?
The InChIKey is RMMHQSAMIOCAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c15-12-3-1-2-11(16-12)13(10-17)4-6-14(7-5-13)18-8-9-19-14/h1-3,17H,4-10H2.
What are the key properties of [8-(6-chloro-2-pyridinyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol?
[8-(6-chloro-2-pyridinyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol has a molecular weight of 283.75 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(6-chloro-2-pyridinyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol is sourced from PubChem (CID 166020647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).