5-Chloro-3-nitropyridine-2-carbonitrile

C₆H₂ClN₃O₂CAS 181123-11-5183.55 g/mol

Open in Covalent MOL file

Aryl halide Nitrile Nitro

Properties

Molecular formula: C₆H₂ClN₃O₂
Molar mass: 183.55 g/mol
Exact mass: 182.9836 Da
logP: 1.51Crippen estimate
Polar surface area: 79.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H314 Causes severe skin burns and eye damage50% of notifiers
H315 Causes skin irritation50% of notifiers
H318 Causes serious eye damage50% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

181123-11-5

SMILES

C1=C(C=NC(=C1[N+](=O)[O-])C#N)Cl

InChIKey

UFTRTPYMNGYVGO-UHFFFAOYSA-N

InChI

InChI=1S/C6H2ClN3O2/c7-4-1-6(10(11)12)5(2-8)9-3-4/h1,3H

Weigh it out

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

Work with 5-Chloro-3-nitropyridine-2-carbonitrile

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-Bromo-3-nitropyridine-2-carbonitrile573675-25-965 % similar 2,5-Dichloro-3-nitropyridine21427-62-361 % similar 5-Chloro-2-methyl-3-nitropyridine1211533-93-557 % similar 2-Amino-5-chloro-3-nitropyridine409-39-257 % similar 2-Amino-5-chloro-3-nitropyridine5409-39-257 % similar 5-Chloro-2-fluoro-3-nitropyridine60186-16-557 % similar 2-Bromo-5-chloro-3-nitropyridine75806-86-957 % similar 4-Chloro-2-nitrobenzonitrile34662-32-356 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-5-nitropyridine-3-carbonitrile31309-08-7 6-Chloro-3-nitropyridine-2-carbonitrile93683-65-9

Elsewhere

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