Ethyl 6-(4-fluorophenyl)-2-(bromomethyl)nicotinate

HCID 69039595

Notes Reactions

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Basic information

CAS: 582325-33-5
Standard SMILES: CCOC(=O)c1ccc(-c2ccc(F)cc2)nc1CBr
InChIKey: YWEZGYUAKBKYGB-UHFFFAOYSA-N
Molecular formula: C15H13BrFNO2
Average molar mass: 338.17 g/mol
Monoisotopic mass: 337.01137

Names & identifiers

Preferred name: Ethyl 6-(4-fluorophenyl)-2-(bromomethyl)nicotinate
IUPAC: ethyl 2-(bromomethyl)-6-(4-fluorophenyl)pyridine-3-carboxylate

Names & synonyms

SCHEMBL4427393YWEZGYUAKBKYGB-UHFFFAOYSA-NDTXSID401178430Ethyl 6-(4-fluorophenyl)-2-(bromomethyl)nicotinateEthyl 2-(bromomethyl)-6-(4-fluorophenyl)-3-pyridinecarboxylateethyl 2-(bromomethyl)-6-(4-fluorophenyl)pyridine-3-carboxylate582325-33-5

Database identifiers

CAS: 582325-33-5
PubChem CID: 69039595
DTXSID: DTXSID401178430

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 39.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 20
Formal charge: 0
Complexity: 321

Related reactions

3 records

New reaction record

HRID 494201As productuspto-grants-2009_05

HRID 494202As reactantuspto-grants-2009_05

HRID 2161366As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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