[2-Methyl-6-(4-trifluoromethyl-phenyl)-pyridin-3-yl]-methanol

HCID 21935862

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1nc(-c2ccc(C(F)(F)F)cc2)ccc1CO
InChIKey: SHPUCOAFXNBLMZ-UHFFFAOYSA-N
Molecular formula: C14H12F3NO
Average molar mass: 267.25 g/mol

Names & identifiers

Preferred name: [2-Methyl-6-(4-trifluoromethyl-phenyl)-pyridin-3-yl]-methanol
IUPAC: [2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanol

Names & synonyms

[2-Methyl-6-(4-trifluoromethyl-phenyl)-pyridin-3-yl]-methanolSCHEMBL1549553851069-79-92-Methyl-6-(4-(trifluoromethyl)phenyl)pyridine-3-methanol

Database identifiers

PubChem CID: 21935862

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 33.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 287

Related reactions

26 records

New reaction record

HRID 99098As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 161482As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 890435As productuspto-grants-2006_02

HRID 890436As reactantuspto-grants-2006_02

HRID 890440As reactantuspto-grants-2006_02

HRID 890445As reactantuspto-grants-2006_02

HRID 1129625As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1132128As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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