5-(Hydroxymethyl)-2-methyl-4-(trifluoromethyl)pyridin-3-ol

HCID 414636

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Basic information

CAS: 53514-73-1
Standard SMILES: Cc1ncc(CO)c(C(F)(F)F)c1O
InChIKey: YYEAXFSAZDBXER-UHFFFAOYSA-N
Molecular formula: C8H8F3NO2
Average molar mass: 207.15 g/mol
Monoisotopic mass: 207.05071298

Names & identifiers

Preferred name: 5-(Hydroxymethyl)-2-methyl-4-(trifluoromethyl)pyridin-3-ol
IUPAC: 5-(hydroxymethyl)-2-methyl-4-(trifluoromethyl)pyridin-3-ol

Names & synonyms

5-(hydroxymethyl)-2-methyl-4-(trifluoromethyl)pyridin-3-ol53514-73-13-Pyridinemethanol, 5-hydroxy-6-methyl-4-(trifluoromethyl)-CHEMBL3277910DTXSID70328864MFCD28039823AKOS025212108

Database identifiers

CAS: 53514-73-1
PubChem CID: 414636
DTXSID: DTXSID70328864
ChEMBL: CHEMBL3277910

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 53.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 198

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