2-Amino-4,5-dichloro-3-nitropyridine

C5H3Cl2N3O2CAS 662116-67-8208.00 g/mol

Open in Covalent MOL file
NNH2N+OO−ClCl
Aryl halideNitroPrimary amine

Properties

Molecular formula
C5H3Cl2N3O2
Molar mass
208.00 g/mol
Exact mass
206.9602 Da
logP
1.88Crippen estimate
Polar surface area
82.0 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Hazards

Danger
Irritant (GHS07)

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

Identifiers

CAS number
662116-67-8
SMILES
C1=C(C(=C(C(=N1)N)[N+](=O)[O-])Cl)Cl
InChIKey
KYVDKOZOAOAFDC-UHFFFAOYSA-N
InChI
InChI=1S/C5H3Cl2N3O2/c6-2-1-9-5(8)4(3(2)7)10(11)12/h1H,(H2,8,9)

Weigh it out

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

Work with 2-Amino-4,5-dichloro-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

Similar compounds

2-Amino-4-chloro-3-nitropyridine6980-08-161 % similar 1,2,4,5-Tetrachloro-3-nitrobenzene117-18-054 % similar 1,3,5-Trichloro-2,4-dinitrobenzene6284-83-950 % similar 2-Amino-5-bromo-4-methyl-3-nitropyridine100367-40-649 % similar 2-Amino-5-chloro-3-nitropyridine409-39-249 % similar 2-Amino-5-chloro-3-nitropyridine5409-39-249 % similar 4-Chloro-5-nitropyridin-2-amine24484-96-645 % similar 2-Amino-4-methyl-3-nitropyridine6635-86-545 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4-Dichloro-6-methyl-5-nitropyrimidine13162-26-0 2,6-Dichloro-3-nitro-4-aminopyridine2897-43-0

Elsewhere

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