[3-(2-Ethoxypyrimidin-5-yl)-2-fluorophenyl]methanol

HCID 68309615

Notes Reactions

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Basic information

Standard SMILES: CCOc1ncc(-c2cccc(CO)c2F)cn1
InChIKey: KCVIWVZOICIZTM-UHFFFAOYSA-N
Molecular formula: C13H13FN2O2
Average molar mass: 248.25 g/mol

Names & identifiers

Preferred name: [3-(2-Ethoxypyrimidin-5-yl)-2-fluorophenyl]methanol
IUPAC: [3-(2-ethoxypyrimidin-5-yl)-2-fluorophenyl]methanol

Names & synonyms

SCHEMBL12525396KCVIWVZOICIZTM-UHFFFAOYSA-NDB-3936323-(2-Ethoxy-5-pyrimidinyl)-2-fluorobenzenemethanol[3-(2-ethoxypyrimidin-5-yl)-2-fluorophenyl]methanol1400760-90-8

Database identifiers

PubChem CID: 68309615

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 55.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 247

Related reactions

2 records

New reaction record

HRID 1021276As productuspto-grants-2014_05

HRID 2171675As productuspto-grants-2015_06

Compound notes

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