6-(Trifluoromethyl)pyridine-3-methanol

C₇H₆F₃NOCAS 386704-04-7177.13 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₇H₆F₃NO
Molar mass: 177.13 g/mol
Exact mass: 177.0401 Da
logP: 1.59Crippen estimate
Polar surface area: 33.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed93.5% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction93.5% of notifiers
H318 Causes serious eye damage93.5% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

386704-04-7

SMILES

C1=CC(=NC=C1CO)C(F)(F)F

InChIKey

CBSXUFWMVOAHTK-UHFFFAOYSA-N

InChI

InChI=1S/C7H6F3NO/c8-7(9,10)6-2-1-5(4-12)3-11-6/h1-3,12H,4H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 6-(Trifluoromethyl)pyridine-3-methanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-(Chloromethyl)-2-(trifluoromethyl)pyridine386715-33-963 % similar 5-(Aminomethyl)-2-(trifluoromethyl)pyridine387350-39-263 % similar [2,2'-Bipyridine]-5,5'-dimethanol63361-65-953 % similar 5-Hydroxy-2-(trifluoromethyl)pyridine216766-12-053 % similar 4-(Trifluoromethyl)benzenemethanol349-95-152 % similar 5-Cyano-2-(trifluoromethyl)pyridine216431-85-549 % similar 2-Trifluoromethyl-5-pyridineboric acid868662-36-649 % similar 5-Amino-2-(trifluoromethyl)pyridine106877-33-248 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Methoxy-3-(trifluoromethyl)pyridine121643-44-5 3-(Trifluoromethoxy)aniline1535-73-5 2-Trifluoromethoxyaniline1535-75-7 2-Methoxy-5-(trifluoromethyl)pyridine175277-45-9 5-Methoxy-2-(trifluoromethyl)pyridine216766-13-1 6-Methyl-4-(trifluoromethyl)-2(1H)-pyridone22123-19-9 2-Amino-5-(trifluoromethyl)phenol454-82-0 4-(Trifluoromethoxy)aniline461-82-5

Elsewhere

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