5-deuterio-4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridine

C14H19NO2 — CID 175792465

IUPAC5-deuterio-4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridine
SMILES[2H]c1cnc(C)cc1C1CCC2(CC1)OCCO2
InChIInChI=1S/C14H19NO2/c1-11-10-13(4-7-15-11)12-2-5-14(6-3-12)16-8-9-17-14/h4,7,10,12H,2-3,5-6,8-9H2,1H3/i4D
InChIKeyBKRJZQKKIWDTEF-QYKNYGDISA-N
MW234.32 g/mol
LogP2.79
Rot. Bonds1

About 5-deuterio-4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridine

5-deuterio-4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridine (PubChem CID 175792465) has the molecular formula C14H19NO2 and a molecular weight of 234.32 g/mol. Its IUPAC name is 5-deuterio-4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridine.

Molecular Properties

Compound Name5-deuterio-4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridine
PubChem CID175792465
Molecular FormulaC14H19NO2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name5-deuterio-4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridine
SMILES[2H]c1cnc(C)cc1C1CCC2(CC1)OCCO2
InChIInChI=1S/C14H19NO2/c1-11-10-13(4-7-15-11)12-2-5-14(6-3-12)16-8-9-17-14/h4,7,10,12H,2-3,5-6,8-9H2,1H3/i4D
InChIKeyBKRJZQKKIWDTEF-QYKNYGDISA-N
XLogP2.79
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-deuterio-4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridine?
The IUPAC name of 5-deuterio-4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridine (CID 175792465) is 5-deuterio-4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridine.
What is the SMILES notation for 5-deuterio-4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridine?
The canonical SMILES for 5-deuterio-4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridine is [2H]c1cnc(C)cc1C1CCC2(CC1)OCCO2.
What is the InChIKey of 5-deuterio-4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridine?
The InChIKey is BKRJZQKKIWDTEF-QYKNYGDISA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-10-13(4-7-15-11)12-2-5-14(6-3-12)16-8-9-17-14/h4,7,10,12H,2-3,5-6,8-9H2,1H3/i4D.
What are the key properties of 5-deuterio-4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridine?
5-deuterio-4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridine has a molecular weight of 234.32 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-deuterio-4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridine is sourced from PubChem (CID 175792465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).