2-Chloro-4-cyanopyridine

C₆H₃ClN₂CAS 33252-30-1138.55 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₆H₃ClN₂
Molar mass: 138.55 g/mol
Exact mass: 137.9985 Da
Melting point: 49 °C
Boiling point: 104–106 °C (at 15 Torr)
logP: 1.61Crippen estimate
Polar surface area: 36.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed16.4% of notifiers
H311 Toxic in contact with skin12.7% of notifiers
H315 Causes skin irritation98.2% of notifiers
H319 Causes serious eye irritation98.2% of notifiers
H332 Harmful if inhaled14.5% of notifiers
H335 May cause respiratory irritation96.4% of notifiers

Aggregated from 55 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, 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

33252-30-1

SMILES

N#Cc1ccnc(Cl)c1

InChIKey

QRXBTPFMCTXCRD-UHFFFAOYSA-N

InChI

InChI=1S/C6H3ClN2/c7-6-3-5(4-8)1-2-9-6/h1-3H

Weigh it out

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

Names and synonyms

5 names

4-Pyridinecarbonitrile, 2-chloro-
Isonicotinonitrile, 2-chloro-
2-Chloro-4-pyridinecarbonitrile
2-Chloroisonicotinonitrile
4-Cyano-2-chloropyridine

Work with 2-Chloro-4-cyanopyridine

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

2,4-Pyridinedicarbonitrile29181-50-859 % similar 2,6-Dichloroisonicotinonitrile32710-65-957 % similar 2-Bromo-4-cyanopyridine10386-27-355 % similar 4-Cyano-2-methylpyridine2214-53-155 % similar 4-Cyano-2-fluoropyridine3939-14-855 % similar 2-Amino-4-cyanopyridine42182-27-455 % similar 2-Chloro-4(1H)-pyridinone17368-12-650 % similar 2,4-Dichloropyridine26452-80-248 % similar

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

Same formula

4-Chloro-2-cyanopyridine19235-89-3 6-Chloronicotinonitrile33252-28-7 6-Chloro-2-pyridinecarbonitrile33252-29-8 3-Chloropyridine-2-carbonitrile38180-46-0 2-Chloro-3-cyanopyridine6602-54-6 3-Chloro-4-cyanopyridine68325-15-5 4-Chloro-nicotinonitrile89284-61-7 5-Chloro-2-pyridinecarbonitrile89809-64-3

Elsewhere

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