3-bromo-5-(1,4-dioxaspiro[4.5]decan-8-yloxymethyl)pyridine

C14H18BrNO3 — CID 104797401

IUPAC3-bromo-5-(1,4-dioxaspiro[4.5]decan-8-yloxymethyl)pyridine
SMILESBrc1cncc(COC2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C14H18BrNO3/c15-12-7-11(8-16-9-12)10-17-13-1-3-14(4-2-13)18-5-6-19-14/h7-9,13H,1-6,10H2
InChIKeyRRKCRKSSVQJYFP-UHFFFAOYSA-N
MW328.21 g/mol
LogP3.05
Rot. Bonds3

About 3-bromo-5-(1,4-dioxaspiro[4.5]decan-8-yloxymethyl)pyridine

3-bromo-5-(1,4-dioxaspiro[4.5]decan-8-yloxymethyl)pyridine (PubChem CID 104797401) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 3-bromo-5-(1,4-dioxaspiro[4.5]decan-8-yloxymethyl)pyridine.

Molecular Properties

Compound Name3-bromo-5-(1,4-dioxaspiro[4.5]decan-8-yloxymethyl)pyridine
PubChem CID104797401
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC Name3-bromo-5-(1,4-dioxaspiro[4.5]decan-8-yloxymethyl)pyridine
SMILESBrc1cncc(COC2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C14H18BrNO3/c15-12-7-11(8-16-9-12)10-17-13-1-3-14(4-2-13)18-5-6-19-14/h7-9,13H,1-6,10H2
InChIKeyRRKCRKSSVQJYFP-UHFFFAOYSA-N
XLogP3.05
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-(oxetan-3-yloxymethyl)pyridine
CID 102607218
5-bromo-2-(1,4-dioxaspiro[4.5]decan-8-yloxymethyl)pyridine
CID 104797402
ethane;8-phenylmethoxy-1,4-dioxaspiro[4.5]decane
CID 143382520
[3-[(5-bromo-3-pyridinyl)methoxy]cyclobutyl]methanamine
CID 104799662
methyl 4-[(5-bromo-3-pyridinyl)methoxy]cyclohexane-1-carboxylate
CID 114450840
[2-[(5-bromo-3-pyridinyl)methoxy]cyclopentyl]methanamine
CID 104799648
3-(1,4-dioxaspiro[4.5]decan-8-yloxymethyl)-4-methyl-1,2,5-oxadiazole
CID 113414147
4-bromo-2-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyridine
CID 122621790
7-[(5-bromo-3-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptane
CID 130956415
4-(cyclopropylmethoxy)cyclohexan-1-one;8-(cyclopropylmethoxy)-1,4-dioxaspiro[4.5]decane
CID 158473568
1-[(5-bromo-3-pyridinyl)methyl]-3-methoxycyclohexan-1-ol
CID 106873956
3-bromo-5-[(4-bromophenoxy)methyl]pyridine
CID 115580483

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(1,4-dioxaspiro[4.5]decan-8-yloxymethyl)pyridine?
The IUPAC name of 3-bromo-5-(1,4-dioxaspiro[4.5]decan-8-yloxymethyl)pyridine (CID 104797401) is 3-bromo-5-(1,4-dioxaspiro[4.5]decan-8-yloxymethyl)pyridine.
What is the SMILES notation for 3-bromo-5-(1,4-dioxaspiro[4.5]decan-8-yloxymethyl)pyridine?
The canonical SMILES for 3-bromo-5-(1,4-dioxaspiro[4.5]decan-8-yloxymethyl)pyridine is Brc1cncc(COC2CCC3(CC2)OCCO3)c1.
What is the InChIKey of 3-bromo-5-(1,4-dioxaspiro[4.5]decan-8-yloxymethyl)pyridine?
The InChIKey is RRKCRKSSVQJYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c15-12-7-11(8-16-9-12)10-17-13-1-3-14(4-2-13)18-5-6-19-14/h7-9,13H,1-6,10H2.
What are the key properties of 3-bromo-5-(1,4-dioxaspiro[4.5]decan-8-yloxymethyl)pyridine?
3-bromo-5-(1,4-dioxaspiro[4.5]decan-8-yloxymethyl)pyridine has a molecular weight of 328.21 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(1,4-dioxaspiro[4.5]decan-8-yloxymethyl)pyridine is sourced from PubChem (CID 104797401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).