2-bromo-5-(oxan-2-yloxymethyl)pyridine

C11H14BrNO2 — CID 18469682

IUPAC2-bromo-5-(oxan-2-yloxymethyl)pyridine
SMILESBrc1ccc(COC2CCCCO2)cn1
InChIInChI=1S/C11H14BrNO2/c12-10-5-4-9(7-13-10)8-15-11-3-1-2-6-14-11/h4-5,7,11H,1-3,6,8H2
InChIKeyHMUPAFGLFJISNV-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.89
Rot. Bonds3

About 2-bromo-5-(oxan-2-yloxymethyl)pyridine

2-bromo-5-(oxan-2-yloxymethyl)pyridine (PubChem CID 18469682) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 2-bromo-5-(oxan-2-yloxymethyl)pyridine.

Molecular Properties

Compound Name2-bromo-5-(oxan-2-yloxymethyl)pyridine
PubChem CID18469682
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name2-bromo-5-(oxan-2-yloxymethyl)pyridine
SMILESBrc1ccc(COC2CCCCO2)cn1
InChIInChI=1S/C11H14BrNO2/c12-10-5-4-9(7-13-10)8-15-11-3-1-2-6-14-11/h4-5,7,11H,1-3,6,8H2
InChIKeyHMUPAFGLFJISNV-UHFFFAOYSA-N
XLogP2.89
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(4-bromophenyl)methoxy]oxane
CID 68903974
2-[4-(oxan-2-yloxymethyl)phenoxy]oxane
CID 101362561
2-bromo-4-(oxan-2-yloxymethyl)benzonitrile
CID 90092021
[4-(oxan-2-yloxymethyl)phenyl]methyl carbamate
CID 151097937
2-chloro-4-(oxan-2-yloxymethyl)pyridine
CID 86090104
4-(oxan-2-yloxymethyl)-N-[4-[4-[4-(oxan-2-yloxymethyl)-N-[4-[4-(oxan-2-yloxymethyl)phenyl]phenyl]anilino]phenyl]phenyl]-N-[4-[4-(oxan-2-yloxymethyl)phenyl]phenyl]aniline
CID 89394119
2-[(3-fluorophenyl)methoxy]oxane
CID 22446153
4-bromo-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole
CID 129379720
2-[(4-methylphenyl)methoxy]oxolane
CID 11745476
2-(oxan-2-yloxymethyl)pyrimidine
CID 154401140
2-[(4-chlorophenyl)methoxy]oxolane
CID 102105550
4-bromo-5-(oxan-2-yloxymethyl)-1H-pyrazole
CID 139312696

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(oxan-2-yloxymethyl)pyridine?
The IUPAC name of 2-bromo-5-(oxan-2-yloxymethyl)pyridine (CID 18469682) is 2-bromo-5-(oxan-2-yloxymethyl)pyridine.
What is the SMILES notation for 2-bromo-5-(oxan-2-yloxymethyl)pyridine?
The canonical SMILES for 2-bromo-5-(oxan-2-yloxymethyl)pyridine is Brc1ccc(COC2CCCCO2)cn1.
What is the InChIKey of 2-bromo-5-(oxan-2-yloxymethyl)pyridine?
The InChIKey is HMUPAFGLFJISNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c12-10-5-4-9(7-13-10)8-15-11-3-1-2-6-14-11/h4-5,7,11H,1-3,6,8H2.
What are the key properties of 2-bromo-5-(oxan-2-yloxymethyl)pyridine?
2-bromo-5-(oxan-2-yloxymethyl)pyridine has a molecular weight of 272.14 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(oxan-2-yloxymethyl)pyridine is sourced from PubChem (CID 18469682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).