2-bromo-6-(3-fluorooxetan-3-yl)-4-methoxypyridine

C9H9BrFNO2 — CID 177282186

IUPAC2-bromo-6-(3-fluorooxetan-3-yl)-4-methoxypyridine
SMILESCOc1cc(Br)nc(C2(F)COC2)c1
InChIInChI=1S/C9H9BrFNO2/c1-13-6-2-7(12-8(10)3-6)9(11)4-14-5-9/h2-3H,4-5H2,1H3
InChIKeyOZLMYEWEISAPSY-UHFFFAOYSA-N
MW262.08 g/mol
LogP2.05
Rot. Bonds2

About 2-bromo-6-(3-fluorooxetan-3-yl)-4-methoxypyridine

2-bromo-6-(3-fluorooxetan-3-yl)-4-methoxypyridine (PubChem CID 177282186) has the molecular formula C9H9BrFNO2 and a molecular weight of 262.08 g/mol. Its IUPAC name is 2-bromo-6-(3-fluorooxetan-3-yl)-4-methoxypyridine.

Molecular Properties

Compound Name2-bromo-6-(3-fluorooxetan-3-yl)-4-methoxypyridine
PubChem CID177282186
Molecular FormulaC9H9BrFNO2
Molecular Weight262.08 g/mol
Exact Mass260.98
IUPAC Name2-bromo-6-(3-fluorooxetan-3-yl)-4-methoxypyridine
SMILESCOc1cc(Br)nc(C2(F)COC2)c1
InChIInChI=1S/C9H9BrFNO2/c1-13-6-2-7(12-8(10)3-6)9(11)4-14-5-9/h2-3H,4-5H2,1H3
InChIKeyOZLMYEWEISAPSY-UHFFFAOYSA-N
XLogP2.05
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.08
LogP ≤ 52.05
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-Bromo-4-methoxy-6-methylpyridine
CID 88907656
2-Bromo-6-(2-fluoro-3-methoxyphenyl)pyridine
CID 82812113
3-Bromo-2-(fluoromethyl)-6-methoxy-4-methylpyridine
CID 86686341
3-Bromo-4-(fluoromethyl)-6-methoxy-2-methylpyridine
CID 89494911
3-Bromo-6-(fluoromethyl)-2-methoxy-4-methylpyridine
CID 89494954
3-Fluoro-4-methoxy-2-(methoxymethyl)-6-propan-2-ylpyridine
CID 89935518
3-Fluoro-2,4-dimethoxy-6-propan-2-ylpyridine
CID 89935525
4-Bromo-2-(tert-butyl)-6-(2,2,2-trifluoroethoxy)pyridine
CID 90150838
2-Bromo-4-(3,3-difluorocyclobutyl)oxy-6-methylpyridine
CID 118640668
2-Bromo-6-methyl-4-(trifluoromethoxy)pyridine
CID 119001006
2-Bromo-4-((4-methoxybenzyl)oxy)-6-(4-(trifluoromethyl)phenyl)pyridine
CID 142577557
2-Bromo-6-tert-butylpyridine;ethane;trifluoromethoxybenzene
CID 142579589

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(3-fluorooxetan-3-yl)-4-methoxypyridine?
The IUPAC name of 2-bromo-6-(3-fluorooxetan-3-yl)-4-methoxypyridine (CID 177282186) is 2-bromo-6-(3-fluorooxetan-3-yl)-4-methoxypyridine.
What is the SMILES notation for 2-bromo-6-(3-fluorooxetan-3-yl)-4-methoxypyridine?
The canonical SMILES for 2-bromo-6-(3-fluorooxetan-3-yl)-4-methoxypyridine is COc1cc(Br)nc(C2(F)COC2)c1.
What is the InChIKey of 2-bromo-6-(3-fluorooxetan-3-yl)-4-methoxypyridine?
The InChIKey is OZLMYEWEISAPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO2/c1-13-6-2-7(12-8(10)3-6)9(11)4-14-5-9/h2-3H,4-5H2,1H3.
What are the key properties of 2-bromo-6-(3-fluorooxetan-3-yl)-4-methoxypyridine?
2-bromo-6-(3-fluorooxetan-3-yl)-4-methoxypyridine has a molecular weight of 262.08 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(3-fluorooxetan-3-yl)-4-methoxypyridine is sourced from PubChem (CID 177282186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).