(3-chloro-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol

C15H20ClNO2 — CID 103443445

IUPAC(3-chloro-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
SMILESOC(c1ncccc1Cl)C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H20ClNO2/c16-12-4-3-8-17-13(12)14(18)11-5-9-19-15(10-11)6-1-2-7-15/h3-4,8,11,14,18H,1-2,5-7,9-10H2
InChIKeyOWFFLFQQWSLMHG-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.51
Rot. Bonds2

About (3-chloro-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol

(3-chloro-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol (PubChem CID 103443445) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is (3-chloro-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol.

Molecular Properties

Compound Name(3-chloro-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
PubChem CID103443445
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name(3-chloro-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
SMILESOC(c1ncccc1Cl)C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H20ClNO2/c16-12-4-3-8-17-13(12)14(18)11-5-9-19-15(10-11)6-1-2-7-15/h3-4,8,11,14,18H,1-2,5-7,9-10H2
InChIKeyOWFFLFQQWSLMHG-UHFFFAOYSA-N
XLogP3.51
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-2-pyridinyl)methanol
CID 82732432
(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79900057
(2,4-dichlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79901810
(3-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79899476
(2,6-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79898859
(2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79902054
[(3-chloro-2-pyridinyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 103445920
furan-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79899469
1-oxaspiro[5.5]undecan-4-yl(1,3-thiazol-2-yl)methanol
CID 113373079
(2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 115823213
(2-methyl-4-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106756295
2-(2,6-dichlorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79908679

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The IUPAC name of (3-chloro-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol (CID 103443445) is (3-chloro-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol.
What is the SMILES notation for (3-chloro-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The canonical SMILES for (3-chloro-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol is OC(c1ncccc1Cl)C1CCOC2(CCCC2)C1.
What is the InChIKey of (3-chloro-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The InChIKey is OWFFLFQQWSLMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c16-12-4-3-8-17-13(12)14(18)11-5-9-19-15(10-11)6-1-2-7-15/h3-4,8,11,14,18H,1-2,5-7,9-10H2.
What are the key properties of (3-chloro-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
(3-chloro-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol has a molecular weight of 281.78 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol is sourced from PubChem (CID 103443445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).