2-Amino-5-chloro-3-nitropyridine

C₅H₄ClN₃O₂CAS 409-39-2173.56 g/mol

Open in Covalent MOL file

Aryl halide Nitro Primary amine

Properties

Molecular formula: C₅H₄ClN₃O₂
Molar mass: 173.56 g/mol
Exact mass: 172.9992 Da
logP: 1.23Crippen estimate
Polar surface area: 82.0 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation97.8% of notifiers
H319 Causes serious eye irritation97.8% of notifiers
H335 May cause respiratory irritation95.7% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

409-39-2

SMILES

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

InChIKey

GILTXHIJUUIMPI-UHFFFAOYSA-N

InChI

InChI=1S/C5H4ClN3O2/c6-3-1-4(9(10)11)5(7)8-2-3/h1-2H,(H2,7,8)

Weigh it out

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

Work with 2-Amino-5-chloro-3-nitropyridine

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.

2-Amino-5-chloro-3-nitropyridine5409-39-2

Similar compounds

2,5-Dichloro-3-nitropyridine21427-62-366 % similar 5-Fluoro-3-nitropyridin-2-amine212268-12-764 % similar 5-Chloro-2-methyl-3-nitropyridine1211533-93-562 % similar 5-Iodo-3-nitro-2-pyridinamine25391-57-562 % similar 5-Chloro-2-fluoro-3-nitropyridine60186-16-562 % similar 5-Bromo-3-nitro-2-pyridinamine6945-68-262 % similar 2-Bromo-5-chloro-3-nitropyridine75806-86-962 % similar 2-Amino-3-nitro-5-picoline7598-26-762 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-6-chloro-3-nitropyridine136901-10-5 4-Chloro-5-nitropyridin-2-amine24484-96-6 2-Chloro-5-nitropyridin-4-amine2604-39-9 2-Amino-6-chloro-3-nitropyridine27048-04-0 3-Amino-6-chloropyrazine-2-carboxylic acid2727-13-1 4-Amino-2-chloro-3-nitropyridine2789-25-5 2-Amino-4-chloro-3-nitropyridine6980-08-1

Elsewhere

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