2,4-Dichloro-5-nitropyrimidine

C₄HCl₂N₃O₂CAS 49845-33-2193.97 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₄HCl₂N₃O₂
Molar mass: 193.97 g/mol
Exact mass: 192.9446 Da
logP: 1.69Crippen estimate
Polar surface area: 68.9 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation94.2% of notifiers
H335 May cause respiratory irritation96.2% of notifiers

Aggregated from 52 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

49845-33-2

SMILES

C1=C(C(=NC(=N1)Cl)Cl)[N+](=O)[O-]

InChIKey

INUSQTPGSHFGHM-UHFFFAOYSA-N

InChI

InChI=1S/C4HCl2N3O2/c5-3-2(9(10)11)1-7-4(6)8-3/h1H

Weigh it out

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

Work with 2,4-Dichloro-5-nitropyrimidine

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

2,4,6-Trichloro-5-nitropyrimidine4359-87-956 % similar 2,6-Dichloro-3-nitropyridine16013-85-754 % similar 2-Chloro-5-nitropyrimidine10320-42-053 % similar 2,5-Dichloro-3-nitropyridine21427-62-353 % similar 2-Chloro-3,5-dinitropyridine2578-45-253 % similar 2-Chloro-5-fluoro-3-nitropyridine136888-21-651 % similar 2-Chloro-6-methyl-3-nitropyridine56057-19-351 % similar 2,6-Dichloro-3-methyl-5-nitropyridine58596-88-651 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,6-Dichloro-5-nitropyrimidine4316-93-2

Elsewhere

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