3-(bromomethyl)-2-ethoxy-6-fluoropyridine

C8H9BrFNO — CID 133058203

IUPAC3-(bromomethyl)-2-ethoxy-6-fluoropyridine
SMILESCCOc1nc(F)ccc1CBr
InChIInChI=1S/C8H9BrFNO/c1-2-12-8-6(5-9)3-4-7(10)11-8/h3-4H,2,5H2,1H3
InChIKeyFDZXZBVOCMBASL-UHFFFAOYSA-N
MW234.07 g/mol
LogP2.51
Rot. Bonds3

About 3-(bromomethyl)-2-ethoxy-6-fluoropyridine

3-(bromomethyl)-2-ethoxy-6-fluoropyridine (PubChem CID 133058203) has the molecular formula C8H9BrFNO and a molecular weight of 234.07 g/mol. Its IUPAC name is 3-(bromomethyl)-2-ethoxy-6-fluoropyridine.

Molecular Properties

Compound Name3-(bromomethyl)-2-ethoxy-6-fluoropyridine
PubChem CID133058203
Molecular FormulaC8H9BrFNO
Molecular Weight234.07 g/mol
Exact Mass232.99
IUPAC Name3-(bromomethyl)-2-ethoxy-6-fluoropyridine
SMILESCCOc1nc(F)ccc1CBr
InChIInChI=1S/C8H9BrFNO/c1-2-12-8-6(5-9)3-4-7(10)11-8/h3-4H,2,5H2,1H3
InChIKeyFDZXZBVOCMBASL-UHFFFAOYSA-N
XLogP2.51
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.07
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-ethoxy-6-fluoropyridine
CID 53439486
1-(2-ethoxy-6-fluoro-3-pyridinyl)ethanol
CID 133054346
propan-2-yl 2-ethoxy-6-fluoropyridine-3-carboxylate
CID 133054531
3-(bromomethyl)-6-fluoro-2-iodopyridine
CID 130881844
2-ethoxy-3,4,6-trifluoropyridine
CID 173151016
2,6-diethoxy-3-(propoxymethyl)pyridine
CID 12762185
2-ethoxy-3-fluoro-6-iodopyridine
CID 130926020
1,4-bis(bromomethyl)-2,5-diethoxybenzene
CID 22590203
2-ethoxy-3-fluoro-4-methylpyridine
CID 88977176
4-(bromomethyl)-3-(difluoromethyl)-6-fluoro-2-methoxypyridine
CID 130080644
6-ethoxy-2-fluoro-3-[2-(4-pentylphenyl)ethyl]pyridine
CID 23179569
acetic acid;[2-ethoxy-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 171929343

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-2-ethoxy-6-fluoropyridine?
The IUPAC name of 3-(bromomethyl)-2-ethoxy-6-fluoropyridine (CID 133058203) is 3-(bromomethyl)-2-ethoxy-6-fluoropyridine.
What is the SMILES notation for 3-(bromomethyl)-2-ethoxy-6-fluoropyridine?
The canonical SMILES for 3-(bromomethyl)-2-ethoxy-6-fluoropyridine is CCOc1nc(F)ccc1CBr.
What is the InChIKey of 3-(bromomethyl)-2-ethoxy-6-fluoropyridine?
The InChIKey is FDZXZBVOCMBASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO/c1-2-12-8-6(5-9)3-4-7(10)11-8/h3-4H,2,5H2,1H3.
What are the key properties of 3-(bromomethyl)-2-ethoxy-6-fluoropyridine?
3-(bromomethyl)-2-ethoxy-6-fluoropyridine has a molecular weight of 234.07 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-2-ethoxy-6-fluoropyridine is sourced from PubChem (CID 133058203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).