2-(bromomethyl)-5-(6-oxaspiro[4.5]decan-9-yloxy)pyridine

C15H20BrNO2 — CID 79894085

IUPAC2-(bromomethyl)-5-(6-oxaspiro[4.5]decan-9-yloxy)pyridine
SMILESBrCc1ccc(OC2CCOC3(CCCC3)C2)cn1
InChIInChI=1S/C15H20BrNO2/c16-10-12-3-4-14(11-17-12)19-13-5-8-18-15(9-13)6-1-2-7-15/h3-4,11,13H,1-2,5-10H2
InChIKeyLOFLATBJZJHCEF-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.85
Rot. Bonds3

About 2-(bromomethyl)-5-(6-oxaspiro[4.5]decan-9-yloxy)pyridine

2-(bromomethyl)-5-(6-oxaspiro[4.5]decan-9-yloxy)pyridine (PubChem CID 79894085) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 2-(bromomethyl)-5-(6-oxaspiro[4.5]decan-9-yloxy)pyridine.

Molecular Properties

Compound Name2-(bromomethyl)-5-(6-oxaspiro[4.5]decan-9-yloxy)pyridine
PubChem CID79894085
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name2-(bromomethyl)-5-(6-oxaspiro[4.5]decan-9-yloxy)pyridine
SMILESBrCc1ccc(OC2CCOC3(CCCC3)C2)cn1
InChIInChI=1S/C15H20BrNO2/c16-10-12-3-4-14(11-17-12)19-13-5-8-18-15(9-13)6-1-2-7-15/h3-4,11,13H,1-2,5-10H2
InChIKeyLOFLATBJZJHCEF-UHFFFAOYSA-N
XLogP3.85
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-(6-oxaspiro[4.5]decan-9-yloxy)pyridine?
The IUPAC name of 2-(bromomethyl)-5-(6-oxaspiro[4.5]decan-9-yloxy)pyridine (CID 79894085) is 2-(bromomethyl)-5-(6-oxaspiro[4.5]decan-9-yloxy)pyridine.
What is the SMILES notation for 2-(bromomethyl)-5-(6-oxaspiro[4.5]decan-9-yloxy)pyridine?
The canonical SMILES for 2-(bromomethyl)-5-(6-oxaspiro[4.5]decan-9-yloxy)pyridine is BrCc1ccc(OC2CCOC3(CCCC3)C2)cn1.
What is the InChIKey of 2-(bromomethyl)-5-(6-oxaspiro[4.5]decan-9-yloxy)pyridine?
The InChIKey is LOFLATBJZJHCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c16-10-12-3-4-14(11-17-12)19-13-5-8-18-15(9-13)6-1-2-7-15/h3-4,11,13H,1-2,5-10H2.
What are the key properties of 2-(bromomethyl)-5-(6-oxaspiro[4.5]decan-9-yloxy)pyridine?
2-(bromomethyl)-5-(6-oxaspiro[4.5]decan-9-yloxy)pyridine has a molecular weight of 326.23 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-(6-oxaspiro[4.5]decan-9-yloxy)pyridine is sourced from PubChem (CID 79894085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).