2,6-Diisopropyl-3-hydroxymethyl-4-(4-fluorophenyl)-5-hexylpyridine

HCID 22005015

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1
InChIKey: XLGVIPRRJYUYBR-UHFFFAOYSA-N
Molecular formula: C24H34FNO
Average molar mass: 371.5 g/mol

Names & identifiers

Preferred name: 2,6-Diisopropyl-3-hydroxymethyl-4-(4-fluorophenyl)-5-hexylpyridine
IUPAC: [4-(4-fluorophenyl)-5-hexyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol

Names & synonyms

CHEMBL143664SCHEMBL2647169XLGVIPRRJYUYBR-UHFFFAOYSA-NBDBM501093292,6-Diisopropyl-3-hydroxymethyl-4-(4-fluorophenyl)-5-hexylpyridine[4-(4-Fluoro-phenyl)-5-hexyl-2,6-diisopropyl-pyridin-3-yl]-methanol

Database identifiers

PubChem CID: 22005015
ChEMBL: CHEMBL143664
Nikkaji: J1.693.226D

Properties

Computed structural properties

XLogP: 7
Topological polar surface area: 33.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 9
Heavy atoms: 27
Formal charge: 0
Complexity: 405

Related reactions

4 records

New reaction record

HRID 98269As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 324804As productuspto-grants-2001_04

HRID 324830As reactantuspto-grants-2001_04

HRID 1236995As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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