2,6-Dichloro-4-pyridinemethanol

C₆H₅Cl₂NOCAS 101990-69-6178.01 g/mol

Open in Covalent MOL file

Alcohol Aryl halide

Properties

Molecular formula: C₆H₅Cl₂NO
Molar mass: 178.01 g/mol
Exact mass: 176.9748 Da
Melting point: 133 °C
logP: 1.88Crippen estimate
Polar surface area: 33.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed14.3% of notifiers
H302 Harmful if swallowed57.1% of notifiers
H311 Toxic in contact with skin14.3% of notifiers
H312 Harmful in contact with skin42.9% of notifiers
H315 Causes skin irritation71.4% of notifiers
H319 Causes serious eye irritation71.4% of notifiers
H331 Toxic if inhaled14.3% of notifiers
H332 Harmful if inhaled42.9% of notifiers
H335 May cause respiratory irritation71.4% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

101990-69-6

SMILES

OCc1cc(Cl)nc(Cl)c1

InChIKey

YDGJTFCKLFLWFM-UHFFFAOYSA-N

InChI

InChI=1S/C6H5Cl2NO/c7-5-1-4(3-10)2-6(8)9-5/h1-2,10H,3H2

Weigh it out

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

Names and synonyms

5 names

4-Pyridinemethanol, 2,6-dichloro-
2,6-Dichloropyrid-4-ylcarbinol
(2,6-Dichloropyridin-4-yl)methanol
2,6-Dichloro-4-(hydroxymethyl)pyridine
(2,6-Dichloro-4-pyridyl)methanol

Work with 2,6-Dichloro-4-pyridinemethanol

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

(2-Chloropyridin-4-yl)methanol100704-10-757 % similar 2,6-Dichloropyridine-4-methylamine88579-63-954 % similar 1,3,5-Benzenetrimethanol4464-18-052 % similar 3,5-Dichlorobenzylic alcohol60211-57-652 % similar (6-Chloropyridin-3-yl)methanol21543-49-748 % similar 2,6-Dichloropyridin-4-ol17228-74-948 % similar 4-Amino-2,6-dichloropyridine2587-02-248 % similar 2,4,6-Trichloropyridine16063-69-746 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Nicotinic acid chloride hydrochloride20260-53-1 Isonicotinoyl chloride hydrochloride39178-35-3 5-Amino-2,4-dichlorophenol39489-79-7 Picolinoyl chloride hydrochloride39901-94-5 4-Amino-2,5-dichlorophenol50392-39-7 2-Amino-4,6-dichlorophenol527-62-8 (5,6-Dichloropyridin-3-yl)methanol54127-30-9 (2,6-Dichloro-3-pyridinyl)methanol55304-90-0

Elsewhere

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