2-Chloro-5-nitropyridin-4-amine

C₅H₄ClN₃O₂CAS 2604-39-9173.56 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

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

2604-39-9

SMILES

C1=C(C(=CN=C1Cl)[N+](=O)[O-])N

InChIKey

YKWBEPUOVBMENG-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2-Chloro-5-nitropyridin-4-amine

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-Dichloro-5-nitropyridine4487-56-366 % similar 2-Chloro-4-methyl-5-nitropyridine23056-33-962 % similar 6-Chloropyridine-3,4-diamine89182-17-256 % similar 4,5-Dichloro-2-nitrobenzenamine6641-64-156 % similar 2-Chloro-5-nitroisonicotinic acid907545-47-555 % similar 2-Chloro-5-nitro-1,4-benzenediamine26196-45-254 % similar 5-Chloro-2-nitroaniline1635-61-653 % similar 2,6-Dichloro-3-nitro-4-aminopyridine2897-43-053 % 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-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-5-chloro-3-nitropyridine409-39-2 2-Amino-5-chloro-3-nitropyridine5409-39-2 2-Amino-4-chloro-3-nitropyridine6980-08-1

Elsewhere

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