4-Chloro-3-fluoropyridine hcl

C₅H₄Cl₂FNCAS 119229-74-2167.99 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₅H₄Cl₂FN
Molar mass: 167.99 g/mol
Exact mass: 166.9705 Da
logP: 2.30Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed20% of notifiers
H302 Harmful if swallowed80% of notifiers
H311 Toxic in contact with skin20% of notifiers
H315 Causes skin irritation80% of notifiers
H319 Causes serious eye irritation80% of notifiers
H331 Toxic if inhaled20% of notifiers
H335 May cause respiratory irritation80% of notifiers

Aggregated from 5 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, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

119229-74-2

SMILES

C1=CN=CC(=C1Cl)F.Cl

InChIKey

YWWXNVPPEXEZPT-UHFFFAOYSA-N

InChI

InChI=1S/C5H3ClFN.ClH/c6-4-1-2-8-3-5(4)7;/h1-3H;1H

Weigh it out

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

Names and synonyms

1 names

4-Chloro-3-fluoropyridine hydrochloride

Work with 4-Chloro-3-fluoropyridine hcl

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Chloro-3-fluoropyridine2546-56-7Free base

Similar compounds

4-Bromo-3-fluoropyridine hydrochloride1159811-44-555 % similar 3-Bromo-4-chloropyridine hydrochloride181256-18-855 % similar 4-Chloro-3-methylpyridine hydrochloride19524-08-455 % similar 4-Chloro-3-(trifluoromethyl)pyridine hydrochloride732306-24-055 % similar 3,4-Dichloropyridine55934-00-452 % similar 4-Chloro-3-nitropyridine hydrochloride54079-68-447 % similar 4-Chloro-3-methylpyridine1681-36-345 % similar 4-Chloro-3-pyridinamine20511-15-345 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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