2-bromo-5-(oxolan-2-ylmethoxy)pyridine

C10H12BrNO2 — CID 104853752

IUPAC2-bromo-5-(oxolan-2-ylmethoxy)pyridine
SMILESBrc1ccc(OCC2CCCO2)cn1
InChIInChI=1S/C10H12BrNO2/c11-10-4-3-8(6-12-10)14-7-9-2-1-5-13-9/h3-4,6,9H,1-2,5,7H2
InChIKeyMAXAHALLYZUUAX-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.40
Rot. Bonds3

About 2-bromo-5-(oxolan-2-ylmethoxy)pyridine

2-bromo-5-(oxolan-2-ylmethoxy)pyridine (PubChem CID 104853752) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 2-bromo-5-(oxolan-2-ylmethoxy)pyridine.

Molecular Properties

Compound Name2-bromo-5-(oxolan-2-ylmethoxy)pyridine
PubChem CID104853752
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name2-bromo-5-(oxolan-2-ylmethoxy)pyridine
SMILESBrc1ccc(OCC2CCCO2)cn1
InChIInChI=1S/C10H12BrNO2/c11-10-4-3-8(6-12-10)14-7-9-2-1-5-13-9/h3-4,6,9H,1-2,5,7H2
InChIKeyMAXAHALLYZUUAX-UHFFFAOYSA-N
XLogP2.40
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.40
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

2-methyl-N-[[5-(oxolan-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79794373
2-[(4-iodophenoxy)methyl]oxolane
CID 60644314
2-[(6-bromo-3-pyridinyl)oxymethyl]-4-propan-2-ylmorpholine
CID 107396660
N-methyl-4-(oxolan-2-ylmethoxy)aniline
CID 54803460
4-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1,2,4-triazole
CID 95127690
1-[5-(oxolan-2-ylmethoxy)-2-pyridinyl]-N-propylpropan-1-amine
CID 115939887
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
1-methyl-4-(oxolan-2-ylmethoxy)pyrazole
CID 116794075
2-[(3-bromo-5-fluorophenoxy)methyl]oxolane
CID 81331452
potassium trifluoro-[4-(oxolan-2-ylmethoxy)phenyl]boranuide
CID 63677667
4-(oxolan-2-ylmethoxy)pyridine-2-carbonitrile
CID 62936750
2-[(2-bromo-4-methoxyphenoxy)methyl]oxolane
CID 104705218

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(oxolan-2-ylmethoxy)pyridine?
The IUPAC name of 2-bromo-5-(oxolan-2-ylmethoxy)pyridine (CID 104853752) is 2-bromo-5-(oxolan-2-ylmethoxy)pyridine.
What is the SMILES notation for 2-bromo-5-(oxolan-2-ylmethoxy)pyridine?
The canonical SMILES for 2-bromo-5-(oxolan-2-ylmethoxy)pyridine is Brc1ccc(OCC2CCCO2)cn1.
What is the InChIKey of 2-bromo-5-(oxolan-2-ylmethoxy)pyridine?
The InChIKey is MAXAHALLYZUUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c11-10-4-3-8(6-12-10)14-7-9-2-1-5-13-9/h3-4,6,9H,1-2,5,7H2.
What are the key properties of 2-bromo-5-(oxolan-2-ylmethoxy)pyridine?
2-bromo-5-(oxolan-2-ylmethoxy)pyridine has a molecular weight of 258.11 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(oxolan-2-ylmethoxy)pyridine is sourced from PubChem (CID 104853752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).